
 SCHEMBL2195676

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.0331    1.4346   -0.5988 C   0  0  0  0  0
    1.1727    0.7523   -0.3935 C   0  0  0  0  0
    1.1689   -0.5451    0.1448 C   0  0  0  0  0
   -0.0570   -1.1466    0.4516 C   0  0  0  0  0
   -1.2494   -0.4578    0.2471 C   0  0  0  0  0
   -1.2461    0.8301   -0.2737 C   0  0  0  0  0
   -2.4168   -1.0342    0.5614 F   0  0  0  0  0
   -0.1124   -2.3686    0.9990 F   0  0  0  0  0
    2.3848   -1.2466    0.3472 N   0  0  0  0  0
    2.5674   -2.6244    0.3588 C   0  0  0  0  0
    3.8332   -2.9814    0.4817 N   0  0  0  0  0
    4.4886   -1.8090    0.5929 C   0  0  0  0  0
    3.6504   -0.7261    0.5491 C   0  0  0  0  0
    4.1297    0.5551    0.7610 N   0  0  0  0  0
    5.5329    0.7688    0.9780 C   0  0  0  0  0
    5.9182    1.9071    1.1596 O   0  0  0  0  0
    6.4011   -0.4366    0.9725 C   0  0  0  0  0
    5.8771   -1.6605    0.7938 C   0  0  0  0  0
   -0.0299    2.4341   -1.0316 H   0  0  0  0  0
    2.0828    1.2397   -0.7318 H   0  0  0  0  0
   -2.1879    1.3488   -0.4305 H   0  0  0  0  0
    1.7512   -3.3244    0.2256 H   0  0  0  0  0
    3.5279    1.3631    0.8313 H   0  0  0  0  0
    7.4590   -0.2723    1.1330 H   0  0  0  0  0
    6.5035   -2.5472    0.8029 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  3  4  2  0  0  0
  3  9  1  0  0  0
  4  5  1  0  0  0
  4  8  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 21  1  0  0  0
  9 10  1  0  0  0
  9 13  1  0  0  0
 10 11  2  0  0  0
 10 22  1  0  0  0
 11 12  1  0  0  0
 12 18  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 23  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  2  0  0  0
 17 24  1  0  0  0
 18 25  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2195676

>  <PubChem CID>
58345739

>  <Formula>
C12H7F2N3O

>  <Molecular Weight>
247.205000

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

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC(=C(C(=C1)F)F)N2C=NC3=C2NC(=O)C=C3

>  <Isomeric SMILES>
C1=CC(=C(C(=C1)F)F)N2C=NC3=C2NC(=O)C=C3

>  <InChI Std. ID>
InChI=1S/C12H7F2N3O/c13-7-2-1-3-9(11(7)14)17-6-15-8-4-5-10(18)16-12(8)17/h1-6H,(H,16,18)

>  <InChI Key>
AZQBPEYMUISKJZ-UHFFFAOYSA-N

