
 CHEMBL3769964

 50 54  0  0  0  0  0  0  0  0999 V2000
    7.1954    0.6897   -2.5221 C   0  0  0  0  0
    6.5211    0.2230   -1.2875 C   0  0  0  0  0
    6.5395   -0.9872   -0.6210 C   0  0  0  0  0
    5.7520   -0.9617    0.4998 N   0  0  0  0  0
    5.2532    0.2522    0.5421 C   0  0  0  0  0
    5.6894    1.0252   -0.5250 N   0  0  0  0  0
    5.3266    2.3620   -0.7040 C   0  0  0  0  0
    4.5191    2.9855    0.1873 C   0  0  0  0  0
    4.0295    2.1605    1.3060 C   0  0  0  0  0
    4.3782    0.8702    1.4704 C   0  0  0  0  0
    4.1544    4.3389    0.1049 N   0  0  0  0  0
    4.0338    4.8803   -1.1730 C   0  0  0  0  0
    3.6698    6.1542   -1.3689 C   0  0  0  0  0
    3.3766    7.0083   -0.2493 C   0  0  0  0  0
    3.5367    6.5482    0.9998 C   0  0  0  0  0
    3.9219    5.1322    1.2467 C   0  0  0  0  0
    4.0333    4.7813    2.4182 O   0  0  0  0  0
    2.9859    8.2888   -0.6096 O   0  0  0  0  0
    2.1953    9.0154    0.2494 C   0  0  0  0  0
    1.0447    8.4880    0.8412 C   0  0  0  0  0
    0.3172    9.2506    1.7598 C   0  0  0  0  0
    0.7334   10.5451    2.0734 C   0  0  0  0  0
    1.8209   11.1024    1.3936 C   0  0  0  0  0
    2.5555   10.3393    0.4848 C   0  0  0  0  0
    0.1600   11.3608    3.0046 O   0  0  0  0  0
   -0.4953   10.7283    4.0945 C   0  0  0  0  0
   -0.5092   11.5825    5.1420 F   0  0  0  0  0
   -1.7719   10.4380    3.7665 F   0  0  0  0  0
    0.1321    9.5995    4.4905 F   0  0  0  0  0
    7.3303   -2.2128   -1.0439 C   0  0  0  0  0
    7.9398   -3.0712    0.0462 C   0  0  0  0  0
    6.7623   -3.5776   -0.7125 C   0  0  0  0  0
    7.8862   -0.0598   -2.9176 H   0  0  0  0  0
    7.7759    1.5976   -2.3284 H   0  0  0  0  0
    6.4580    0.9080   -3.3013 H   0  0  0  0  0
    5.7799    2.8571   -1.5503 H   0  0  0  0  0
    3.3306    2.5943    2.0148 H   0  0  0  0  0
    3.9992    0.2809    2.2976 H   0  0  0  0  0
    4.1970    4.2455   -2.0375 H   0  0  0  0  0
    3.5708    6.5599   -2.3706 H   0  0  0  0  0
    3.3817    7.1502    1.8858 H   0  0  0  0  0
    0.7195    7.4764    0.6121 H   0  0  0  0  0
   -0.5585    8.8016    2.2210 H   0  0  0  0  0
    2.1189   12.1287    1.5960 H   0  0  0  0  0
    3.4185   10.7713   -0.0143 H   0  0  0  0  0
    7.8961   -2.1241   -1.9634 H   0  0  0  0  0
    7.7898   -2.7751    1.0791 H   0  0  0  0  0
    8.9068   -3.5188   -0.1481 H   0  0  0  0  0
    6.9184   -4.3760   -1.4273 H   0  0  0  0  0
    5.8112   -3.6289   -0.1930 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  4  5  2  0  0  0
  5 10  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 36  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 37  1  0  0  0
 10 38  1  0  0  0
 11 12  1  0  0  0
 11 16  1  0  0  0
 12 13  2  0  0  0
 12 39  1  0  0  0
 13 14  1  0  0  0
 13 40  1  0  0  0
 14 15  2  0  0  0
 14 18  1  0  0  0
 15 16  1  0  0  0
 15 41  1  0  0  0
 16 17  2  0  0  0
 18 19  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 42  1  0  0  0
 21 22  2  0  0  0
 21 43  1  0  0  0
 22 23  1  0  0  0
 22 25  1  0  0  0
 23 24  2  0  0  0
 23 44  1  0  0  0
 24 45  1  0  0  0
 25 26  1  0  0  0
 26 29  1  0  0  0
 26 28  1  0  0  0
 26 27  1  0  0  0
 30 32  1  0  0  0
 30 31  1  0  0  0
 30 46  1  0  0  0
 31 32  1  0  0  0
 31 47  1  0  0  0
 31 48  1  0  0  0
 32 49  1  0  0  0
 32 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3769964

>  <PubChem CID>
127029631

>  <Formula>
C23H18F3N3O3

>  <Molecular Weight>
441.410000

>  <IUPAC Name>
1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethoxy)phenoxy]pyridin-2-one

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=C(N=C2N1C=C(C=C2)N3C=CC(=CC3=O)OC4=CC=C(C=C4)OC(F)(F)F)C5CC5

>  <Isomeric SMILES>
CC1=C(N=C2N1C=C(C=C2)N3C=CC(=CC3=O)OC4=CC=C(C=C4)OC(F)(F)F)C5CC5

>  <InChI Std. ID>
InChI=1S/C23H18F3N3O3/c1-14-22(15-2-3-15)27-20-9-4-16(13-29(14)20)28-11-10-19(12-21(28)30)31-17-5-7-18(8-6-17)32-23(24,25)26/h4-13,15H,2-3H2,1H3

>  <InChI Key>
GCJDMMOKYRCMEN-UHFFFAOYSA-N

