
 SCHEMBL2193122

 37 39  0  0  0  0  0  0  0  0999 V2000
    6.0132    0.7189   -0.4711 C   0  0  0  0  0
    4.6580    0.3315    0.0060 C   0  0  0  0  0
    4.3623   -0.9321    0.2807 N   0  0  0  0  0
    3.0375   -0.9433    0.4938 C   0  0  0  0  0
    2.4830    0.2977    0.3696 C   0  0  0  0  0
    3.5435    1.1655    0.1683 N   0  0  0  0  0
    3.4290    2.6492    0.0993 C   0  0  0  0  0
    2.6323    3.1822    1.3367 C   0  0  0  0  0
    2.1699    4.6373    1.2135 C   0  0  0  0  0
    1.4403    4.8957   -0.0991 C   0  0  0  0  0
    2.2790    4.4874   -1.3036 C   0  0  0  0  0
    2.7022    3.0212   -1.2215 C   0  0  0  0  0
    4.7974    3.3772    0.1361 C   0  0  0  0  0
    1.1151    0.4722    0.4443 N   0  0  0  0  0
    0.2597   -0.6544    0.6897 C   0  0  0  0  0
   -0.9400   -0.4637    0.7484 O   0  0  0  0  0
    0.9202   -1.9751    0.8486 C   0  0  0  0  0
    2.2542   -2.0881    0.7451 C   0  0  0  0  0
    6.6114   -0.1809   -0.6557 H   0  0  0  0  0
    6.5519    1.3076    0.2741 H   0  0  0  0  0
    5.9581    1.2559   -1.4216 H   0  0  0  0  0
    3.2401    3.0725    2.2449 H   0  0  0  0  0
    1.7347    2.5901    1.5264 H   0  0  0  0  0
    1.5030    4.8747    2.0511 H   0  0  0  0  0
    3.0225    5.3189    1.3040 H   0  0  0  0  0
    0.4953    4.3387   -0.1069 H   0  0  0  0  0
    1.1834    5.9585   -0.1732 H   0  0  0  0  0
    1.6993    4.6453   -2.2206 H   0  0  0  0  0
    3.1608    5.1336   -1.3804 H   0  0  0  0  0
    1.8003    2.4102   -1.3488 H   0  0  0  0  0
    3.3425    2.7820   -2.0808 H   0  0  0  0  0
    4.6935    4.4636    0.2130 H   0  0  0  0  0
    5.3754    3.2114   -0.7763 H   0  0  0  0  0
    5.3910    3.0636    1.0015 H   0  0  0  0  0
    0.6622    1.3636    0.3094 H   0  0  0  0  0
    0.2743   -2.8222    1.0387 H   0  0  0  0  0
    2.7484   -3.0488    0.8482 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  4 18  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 14  1  0  0  0
  6  7  1  0  0  0
  7 12  1  0  0  0
  7  8  1  0  0  0
  7 13  1  0  0  0
  8  9  1  0  0  0
  8 22  1  0  0  0
  8 23  1  0  0  0
  9 10  1  0  0  0
  9 24  1  0  0  0
  9 25  1  0  0  0
 10 11  1  0  0  0
 10 26  1  0  0  0
 10 27  1  0  0  0
 11 12  1  0  0  0
 11 28  1  0  0  0
 11 29  1  0  0  0
 12 30  1  0  0  0
 12 31  1  0  0  0
 13 32  1  0  0  0
 13 33  1  0  0  0
 13 34  1  0  0  0
 14 15  1  0  0  0
 14 35  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  2  0  0  0
 17 36  1  0  0  0
 18 37  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2193122

>  <PubChem CID>
58345752

>  <Formula>
C14H19N3O

>  <Molecular Weight>
245.326000

>  <IUPAC Name>
2-methyl-3-(1-methylcyclohexyl)-4H-imidazo[4,5-b]pyridin-5-one

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=NC2=C(N1C3(CCCCC3)C)NC(=O)C=C2

>  <Isomeric SMILES>
CC1=NC2=C(N1C3(CCCCC3)C)NC(=O)C=C2

>  <InChI Std. ID>
InChI=1S/C14H19N3O/c1-10-15-11-6-7-12(18)16-13(11)17(10)14(2)8-4-3-5-9-14/h6-7H,3-5,8-9H2,1-2H3,(H,16,18)

>  <InChI Key>
AERLRAKXYYVVCJ-UHFFFAOYSA-N

