
 SCHEMBL2191538

 34 36  0  0  0  0  0  0  0  0999 V2000
    1.2602    0.2135    0.3890 C   0  0  0  0  0
    2.6390   -0.2913   -0.0606 C   0  0  0  0  0
    2.5089   -1.6262   -0.8097 C   0  0  0  0  0
    1.9173   -1.4724   -2.2066 C   0  0  0  0  0
    2.7101   -0.4857   -3.0528 C   0  0  0  0  0
    2.8954    0.8637   -2.3627 C   0  0  0  0  0
    3.3653    0.7897   -0.8971 C   0  0  0  0  0
    4.8171    0.7229   -0.7422 N   0  0  0  0  0
    5.6871   -0.1866   -1.2988 C   0  0  0  0  0
    6.9410    0.0310   -0.9439 N   0  0  0  0  0
    6.8668    1.1021   -0.1241 C   0  0  0  0  0
    5.5841    1.5519    0.0318 C   0  0  0  0  0
    5.2818    2.6228    0.8430 N   0  0  0  0  0
    6.3370    3.2944    1.5493 C   0  0  0  0  0
    6.0453    4.2347    2.2626 O   0  0  0  0  0
    7.7161    2.7733    1.3458 C   0  0  0  0  0
    7.9452    1.7226    0.5399 C   0  0  0  0  0
    1.3643    1.1064    1.0153 H   0  0  0  0  0
    0.7436   -0.5468    0.9842 H   0  0  0  0  0
    0.6189    0.4742   -0.4582 H   0  0  0  0  0
    3.2110   -0.4821    0.8580 H   0  0  0  0  0
    1.8912   -2.3227   -0.2295 H   0  0  0  0  0
    3.4962   -2.0960   -0.8901 H   0  0  0  0  0
    1.9021   -2.4486   -2.7052 H   0  0  0  0  0
    0.8741   -1.1430   -2.1383 H   0  0  0  0  0
    3.6827   -0.9187   -3.3047 H   0  0  0  0  0
    2.1944   -0.3333   -4.0086 H   0  0  0  0  0
    3.5779    1.4855   -2.9552 H   0  0  0  0  0
    1.9250    1.3777   -2.3808 H   0  0  0  0  0
    3.1085    1.7671   -0.4647 H   0  0  0  0  0
    5.3716   -0.9927   -1.9473 H   0  0  0  0  0
    4.3414    2.9658    0.9751 H   0  0  0  0  0
    8.5079    3.2831    1.8789 H   0  0  0  0  0
    8.9477    1.3356    0.3879 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  7  1  0  0  0
  2  3  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  5  1  0  0  0
  4 24  1  0  0  0
  4 25  1  0  0  0
  5  6  1  0  0  0
  5 26  1  0  0  0
  5 27  1  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  6 29  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  8  9  1  0  0  0
  8 12  1  0  0  0
  9 10  2  0  0  0
  9 31  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 32  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  2  0  0  0
 16 33  1  0  0  0
 17 34  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2191538

>  <PubChem CID>
58345717

>  <Formula>
C13H17N3O

>  <Molecular Weight>
231.299000

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

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1CCCCC1N2C=NC3=C2NC(=O)C=C3

>  <Isomeric SMILES>
CC1CCCCC1N2C=NC3=C2NC(=O)C=C3

>  <InChI Std. ID>
InChI=1S/C13H17N3O/c1-9-4-2-3-5-11(9)16-8-14-10-6-7-12(17)15-13(10)16/h6-9,11H,2-5H2,1H3,(H,15,17)

>  <InChI Key>
MEHLUSUYFBXKDG-UHFFFAOYSA-N

