
 SCHEMBL2191413

 36 39  0  0  0  0  0  0  0  0999 V2000
   -1.4829   -1.0826    0.7204 C   0  0  0  0  0
   -0.6296   -1.5279   -0.4157 C   0  0  0  0  0
   -0.1134   -0.4581    0.5311 C   0  0  0  0  0
    1.0133   -0.8723    1.4869 C   0  0  0  0  0
    0.9662   -2.0676    2.0620 N   0  0  0  0  0
    2.0228   -2.0929    2.8893 C   0  0  0  0  0
    2.7710   -0.9547    2.8158 C   0  0  0  0  0
    2.1103   -0.1131    1.9335 N   0  0  0  0  0
    2.5070    1.2094    1.5607 C   0  0  0  0  0
    2.2936    1.6425    0.2426 C   0  0  0  0  0
    2.6789    2.9240   -0.1529 C   0  0  0  0  0
    3.3228    3.7654    0.7463 C   0  0  0  0  0
    3.5620    3.3421    2.0541 C   0  0  0  0  0
    3.1219    2.0855    2.4880 C   0  0  0  0  0
    3.2088    1.6676    3.7859 O   0  0  0  0  0
    3.4855    2.6104    4.8164 C   0  0  0  0  0
    3.1396    2.0476    5.9930 F   0  0  0  0  0
    4.8065    2.8741    4.8413 F   0  0  0  0  0
    2.7864    3.7498    4.6650 F   0  0  0  0  0
    3.9620   -0.8446    3.5119 N   0  0  0  0  0
    4.3821   -1.8910    4.3907 C   0  0  0  0  0
    5.4180   -1.7452    5.0130 O   0  0  0  0  0
    3.5027   -3.0858    4.4721 C   0  0  0  0  0
    2.3827   -3.1638    3.7337 C   0  0  0  0  0
   -2.3535   -0.4787    0.4912 H   0  0  0  0  0
   -1.6353   -1.7718    1.5443 H   0  0  0  0  0
   -0.9143   -1.2311   -1.4179 H   0  0  0  0  0
   -0.2075   -2.5272   -0.3610 H   0  0  0  0  0
   -0.1206    0.5649    0.1785 H   0  0  0  0  0
    1.8728    0.9925   -0.5211 H   0  0  0  0  0
    2.4937    3.2607   -1.1714 H   0  0  0  0  0
    3.6372    4.7588    0.4302 H   0  0  0  0  0
    4.0786    4.0373    2.7123 H   0  0  0  0  0
    4.5404   -0.0203    3.4367 H   0  0  0  0  0
    3.8160   -3.8733    5.1461 H   0  0  0  0  0
    1.7364   -4.0343    3.7823 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  2 28  1  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  6 24  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 20  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 30  1  0  0  0
 11 12  2  0  0  0
 11 31  1  0  0  0
 12 13  1  0  0  0
 12 32  1  0  0  0
 13 14  2  0  0  0
 13 33  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 16 19  1  0  0  0
 16 18  1  0  0  0
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 20 21  1  0  0  0
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 24 36  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2191413

>  <PubChem CID>
58345646

>  <Formula>
C16H12F3N3O2

>  <Molecular Weight>
335.286000

>  <IUPAC Name>
2-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-4H-imidazo[4,5-b]pyridin-5-one

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CC1C2=NC3=C(N2C4=CC=CC=C4OC(F)(F)F)NC(=O)C=C3

>  <Isomeric SMILES>
C1CC1C2=NC3=C(N2C4=CC=CC=C4OC(F)(F)F)NC(=O)C=C3

>  <InChI Std. ID>
InChI=1S/C16H12F3N3O2/c17-16(18,19)24-12-4-2-1-3-11(12)22-14(9-5-6-9)20-10-7-8-13(23)21-15(10)22/h1-4,7-9H,5-6H2,(H,21,23)

>  <InChI Key>
DXTFYENQTZMESI-UHFFFAOYSA-N

