Molecule FYI-1016490

A

Molecule Summary:

ID: FYI-1016490
Names:
InChIKey: YIDQQWWTUUNFJL-UHFFFAOYSA-N
SMILES: Cc1ccccc1C4=Nc2c(cnn2Cc3ccc(F)cc3)CC4

Received at FYIcenter.com on: 2026-01-13

Molecule ID: FYI-1016490 Edit

Molecule Structure InChIKey: YIDQQWWTUUNFJL-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1ccccc1C4=Nc2c(cnn2Cc3ccc(F)cc3)CC4

Download SDF Download SVG Structure in 2D SDF:

FYI-1016490
FYIcenter.com

 24 27  0  0  0  0  0  0  0  0999 V2000
    9.6666    3.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6666    5.0777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4542    5.7777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2417    5.0777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2417    3.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4542    2.9777    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9103    5.5104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0874    4.3777    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9103    3.2451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4776    1.9136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8790    2.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8790    1.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0915    0.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3039    1.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3039    2.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0915    3.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7830    0.7066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1082    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1714    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3694    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6756    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7493    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  5  9  1  0  0  0  0
  4  7  1  0  0  0  0
  9 10  1  0  0  0  0
  1 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 17  1  0  0  0  0
 10 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 21 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016490-3D
FYIcenter.com

 42 45  0  0  0  0  0  0  0  0999 V2000
   -1.7808   -2.0685   -1.2773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9463   -0.9651   -0.6930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4498    0.3480   -0.7804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7442    1.4272   -0.2539 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4811    1.2129    0.3612 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0084   -0.0782    0.4350 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3118   -1.1814   -0.0895 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9552   -2.5464   -0.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7938   -3.3853   -1.0023 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4145   -4.5810   -0.8656 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375   -5.0157    0.1427 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6736   -6.2924   -0.2429 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1591   -6.6677   -1.4174 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3753   -5.6121   -1.7748 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7290   -5.6108   -3.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5962   -6.3403   -3.0627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7892   -5.6384   -2.8340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0161   -6.3040   -2.8219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0523   -7.6731   -3.0416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2302   -8.3118   -3.0348 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8842   -8.3914   -3.2656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6554   -7.7263   -3.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5579   -4.1734    1.2986 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7469   -2.8720    1.2828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8087   -1.7360   -1.4638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8494   -2.9170   -0.5898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3600   -2.3824   -2.2362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4061    0.5374   -1.2656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1491    2.4331   -0.3308 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0387    2.0516    0.7704 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9894   -0.1852    0.8849 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3586   -6.9581    0.2664 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4185   -6.0803   -3.7893 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6018   -4.5721   -3.4015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7662   -4.5664   -2.6634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9394   -5.7615   -2.6469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9352   -9.4628   -3.4319 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2590   -8.2962   -3.4367 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6285   -3.9335    1.2830 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3731   -4.7130    2.2347 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4461   -2.0636    1.5121 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0180   -2.8930    2.1031 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  2  0  0  0  0
  5 30  1  0  0  0  0
  6  7  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  2  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 17  1  0  0  0  0
 16 22  2  0  0  0  0
 17 18  2  0  0  0  0
 17 35  1  0  0  0  0
 18 19  1  0  0  0  0
 18 36  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 37  1  0  0  0  0
 22 38  1  0  0  0  0
 23 24  1  0  0  0  0
 23 39  1  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
 24 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2026-02-02, 656👍, 0💬