
 SCHEMBL2192372

 29 31  0  0  0  0  0  0  0  0999 V2000
    0.4849    1.2522   -0.2369 C   0  0  0  0  0
   -0.9948    0.9763   -0.4435 C   0  0  0  0  0
   -1.1560   -0.2527   -1.1420 O   0  0  0  0  0
   -0.7264   -1.3761   -0.3832 C   0  0  0  0  0
    0.7603   -1.2814   -0.0644 C   0  0  0  0  0
    1.1917    0.0921    0.4739 C   0  0  0  0  0
    1.1317    0.2264    1.9252 N   0  0  0  0  0
    0.1208   -0.1621    2.7739 C   0  0  0  0  0
    0.3852    0.1225    4.0365 N   0  0  0  0  0
    1.5969    0.7186    3.9916 C   0  0  0  0  0
    2.0866    0.8068    2.7173 C   0  0  0  0  0
    3.3002    1.3959    2.4418 N   0  0  0  0  0
    4.0833    1.9350    3.5183 C   0  0  0  0  0
    5.1503    2.4533    3.2507 O   0  0  0  0  0
    3.5133    1.8133    4.8877 C   0  0  0  0  0
    2.3208    1.2268    5.0896 C   0  0  0  0  0
    0.9479    1.3668   -1.2260 H   0  0  0  0  0
    0.6246    2.1996    0.2962 H   0  0  0  0  0
   -1.4365    1.7689   -1.0560 H   0  0  0  0  0
   -1.5461    0.9466    0.5026 H   0  0  0  0  0
   -1.3413   -1.4636    0.5167 H   0  0  0  0  0
   -0.9154   -2.2737   -0.9815 H   0  0  0  0  0
    1.0592   -2.0929    0.6088 H   0  0  0  0  0
    1.3012   -1.4395   -1.0075 H   0  0  0  0  0
    2.2636    0.1800    0.2463 H   0  0  0  0  0
   -0.7892   -0.6422    2.4406 H   0  0  0  0  0
    3.6765    1.4746    1.5079 H   0  0  0  0  0
    4.1075    2.2206    5.6956 H   0  0  0  0  0
    1.8983    1.1359    6.0850 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  2 20  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 21  1  0  0  0
  4 22  1  0  0  0
  5  6  1  0  0  0
  5 23  1  0  0  0
  5 24  1  0  0  0
  6  7  1  0  0  0
  6 25  1  0  0  0
  7  8  1  0  0  0
  7 11  1  0  0  0
  8  9  2  0  0  0
  8 26  1  0  0  0
  9 10  1  0  0  0
 10 16  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 27  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  2  0  0  0
 15 28  1  0  0  0
 16 29  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2192372

>  <PubChem CID>
58345707

>  <Formula>
C11H13N3O2

>  <Molecular Weight>
219.244000

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

>  <XlogP>
0.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1COCCC1N2C=NC3=C2NC(=O)C=C3

>  <Isomeric SMILES>
C1COCCC1N2C=NC3=C2NC(=O)C=C3

>  <InChI Std. ID>
InChI=1S/C11H13N3O2/c15-10-2-1-9-11(13-10)14(7-12-9)8-3-5-16-6-4-8/h1-2,7-8H,3-6H2,(H,13,15)

>  <InChI Key>
IZKBYAZKMLRLHG-UHFFFAOYSA-N

