
 SCHEMBL2194396

 31 33  0  0  0  0  0  0  0  0999 V2000
    1.2886   -0.3249   -1.1938 C   0  0  0  0  0
    2.2089   -0.0325   -0.0139 C   0  0  0  0  0
    2.9036    1.3074   -0.1396 C   0  0  0  0  0
    2.1026    2.4388    0.1336 C   0  0  0  0  0
    2.6277    3.7297    0.1316 C   0  0  0  0  0
    3.9711    3.9252   -0.1492 C   0  0  0  0  0
    4.7872    2.8295   -0.4279 C   0  0  0  0  0
    4.2722    1.5159   -0.4236 C   0  0  0  0  0
    5.1774    0.4648   -0.7418 N   0  0  0  0  0
    4.9341   -0.6745   -1.4942 C   0  0  0  0  0
    6.0099   -1.4180   -1.6861 N   0  0  0  0  0
    6.9853   -0.7385   -1.0510 C   0  0  0  0  0
    6.5279    0.4037   -0.4485 C   0  0  0  0  0
    7.3673    1.1980    0.3115 N   0  0  0  0  0
    8.7574    0.8658    0.4264 C   0  0  0  0  0
    9.4737    1.5942    1.0851 O   0  0  0  0  0
    9.2086   -0.3649   -0.2764 C   0  0  0  0  0
    8.3408   -1.1206   -0.9680 C   0  0  0  0  0
    0.8451   -1.3205   -1.0891 H   0  0  0  0  0
    1.8229   -0.2875   -2.1482 H   0  0  0  0  0
    0.4696    0.4002   -1.2499 H   0  0  0  0  0
    2.9229   -0.8474    0.1301 H   0  0  0  0  0
    1.6111   -0.0307    0.9074 H   0  0  0  0  0
    1.0448    2.3153    0.3678 H   0  0  0  0  0
    1.9830    4.5797    0.3447 H   0  0  0  0  0
    4.3777    4.9340   -0.1725 H   0  0  0  0  0
    5.8137    3.0444   -0.7161 H   0  0  0  0  0
    3.9691   -0.8909   -1.9283 H   0  0  0  0  0
    7.0308    2.0009    0.8280 H   0  0  0  0  0
   10.2587   -0.6128   -0.1884 H   0  0  0  0  0
    8.6625   -2.0252   -1.4756 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  1  0  0  0
  2 22  1  0  0  0
  2 23  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 24  1  0  0  0
  5  6  2  0  0  0
  5 25  1  0  0  0
  6  7  1  0  0  0
  6 26  1  0  0  0
  7  8  2  0  0  0
  7 27  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 13  1  0  0  0
 10 11  2  0  0  0
 10 28  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 29  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  2  0  0  0
 17 30  1  0  0  0
 18 31  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2194396

>  <PubChem CID>
58345694

>  <Formula>
C14H13N3O

>  <Molecular Weight>
239.278000

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

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCC1=CC=CC=C1N2C=NC3=C2NC(=O)C=C3

>  <Isomeric SMILES>
CCC1=CC=CC=C1N2C=NC3=C2NC(=O)C=C3

>  <InChI Std. ID>
InChI=1S/C14H13N3O/c1-2-10-5-3-4-6-12(10)17-9-15-11-7-8-13(18)16-14(11)17/h3-9H,2H2,1H3,(H,16,18)

>  <InChI Key>
JKEUBFOQXICTMC-UHFFFAOYSA-N

