
 SCHEMBL2192056

 30 32  0  0  0  0  0  0  0  0999 V2000
    0.6260    1.3703   -0.1099 C   0  0  0  0  0
   -0.8818    1.2793    0.0988 C   0  0  0  0  0
   -1.4566    0.0128   -0.5170 C   0  0  0  0  0
   -0.7139   -1.2210   -0.0483 C   0  0  0  0  0
   -1.3211   -2.2655    0.1866 O   0  0  0  0  0
    0.8082   -1.1553   -0.0750 C   0  0  0  0  0
    1.3253    0.1635    0.5084 C   0  0  0  0  0
    1.4245   -2.3008    0.5842 N   0  0  0  0  0
    1.2540   -2.6716    1.9021 C   0  0  0  0  0
    2.0125   -3.7003    2.2331 N   0  0  0  0  0
    2.6541   -4.0148    1.0854 C   0  0  0  0  0
    2.3209   -3.1817    0.0510 C   0  0  0  0  0
    2.8697   -3.3216   -1.2031 N   0  0  0  0  0
    3.8192   -4.3742   -1.4443 C   0  0  0  0  0
    4.2921   -4.4760   -2.5595 O   0  0  0  0  0
    4.1516   -5.2540   -0.2913 C   0  0  0  0  0
    3.5816   -5.0631    0.9094 C   0  0  0  0  0
    0.8533    1.4263   -1.1813 H   0  0  0  0  0
    1.0061    2.2898    0.3493 H   0  0  0  0  0
   -1.3696    2.1563   -0.3417 H   0  0  0  0  0
   -1.0996    1.2964    1.1741 H   0  0  0  0  0
   -2.5126   -0.0823   -0.2425 H   0  0  0  0  0
   -1.3901    0.0496   -1.6098 H   0  0  0  0  0
    1.0919   -1.2118   -1.1342 H   0  0  0  0  0
    1.1736    0.1887    1.5952 H   0  0  0  0  0
    2.4069    0.2450    0.3436 H   0  0  0  0  0
    0.5710   -2.1605    2.5711 H   0  0  0  0  0
    2.6316   -2.7292   -1.9848 H   0  0  0  0  0
    4.8678   -6.0442   -0.4781 H   0  0  0  0  0
    3.8172   -5.7015    1.7552 H   0  0  0  0  0
  1  7  1  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  2 21  1  0  0  0
  3  4  1  0  0  0
  3 22  1  0  0  0
  3 23  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  1  0  0  0
  6  8  1  0  0  0
  6 24  1  0  0  0
  7 25  1  0  0  0
  7 26  1  0  0  0
  8  9  1  0  0  0
  8 12  1  0  0  0
  9 10  2  0  0  0
  9 27  1  0  0  0
 10 11  1  0  0  0
 11 17  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 28  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  2  0  0  0
 16 29  1  0  0  0
 17 30  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2192056

>  <PubChem CID>
58345729

>  <Formula>
C12H13N3O2

>  <Molecular Weight>
231.255000

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

>  <XlogP>
0.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CCC(=O)C(C1)N2C=NC3=C2NC(=O)C=C3

>  <Isomeric SMILES>
C1CCC(=O)C(C1)N2C=NC3=C2NC(=O)C=C3

>  <InChI Std. ID>
InChI=1S/C12H13N3O2/c16-10-4-2-1-3-9(10)15-7-13-8-5-6-11(17)14-12(8)15/h5-7,9H,1-4H2,(H,14,17)

>  <InChI Key>
HFXTUMMMOYNHID-UHFFFAOYSA-N

