
 SCHEMBL2192271

 34 36  0  0  0  0  0  0  0  0999 V2000
    0.7837    1.3524    1.3183 C   0  0  0  0  0
    2.3020    1.3449    1.4025 C   0  0  0  0  0
    2.9342    1.6233    0.0388 C   0  0  0  0  0
    4.4323    1.6482    0.1158 C   0  0  0  0  0
    5.1616    0.5405    0.2011 N   0  0  0  0  0
    6.4368    0.9546    0.0714 C   0  0  0  0  0
    6.5359    2.3086   -0.0757 C   0  0  0  0  0
    5.2390    2.7858   -0.0501 N   0  0  0  0  0
    4.8602    4.1473   -0.1732 C   0  0  0  0  0
    5.5475    4.9813   -1.0674 C   0  0  0  0  0
    5.1898    6.3259   -1.1832 C   0  0  0  0  0
    4.1563    6.8443   -0.4058 C   0  0  0  0  0
    3.4752    6.0198    0.4868 C   0  0  0  0  0
    3.8229    4.6726    0.6046 C   0  0  0  0  0
    7.7670    2.9369   -0.1397 N   0  0  0  0  0
    8.9701    2.1574   -0.1029 C   0  0  0  0  0
   10.0372    2.7362   -0.1647 O   0  0  0  0  0
    8.8054    0.6850    0.0191 C   0  0  0  0  0
    7.5827    0.1326    0.1073 C   0  0  0  0  0
    0.3477    1.1842    2.3077 H   0  0  0  0  0
    0.4255    0.5628    0.6501 H   0  0  0  0  0
    0.4155    2.3130    0.9439 H   0  0  0  0  0
    2.6368    0.3712    1.7805 H   0  0  0  0  0
    2.6243    2.0900    2.1382 H   0  0  0  0  0
    2.5347    2.5431   -0.3985 H   0  0  0  0  0
    2.6488    0.8211   -0.6546 H   0  0  0  0  0
    6.3204    4.6018   -1.7313 H   0  0  0  0  0
    5.7052    6.9710   -1.8920 H   0  0  0  0  0
    3.8774    7.8921   -0.4981 H   0  0  0  0  0
    2.6744    6.4307    1.0987 H   0  0  0  0  0
    3.2956    4.0776    1.3433 H   0  0  0  0  0
    7.8574    3.9437   -0.1677 H   0  0  0  0  0
    9.7133    0.0966    0.0409 H   0  0  0  0  0
    7.4553   -0.9409    0.2064 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  2 24  1  0  0  0
  3  4  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  6 19  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 15  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 27  1  0  0  0
 11 12  2  0  0  0
 11 28  1  0  0  0
 12 13  1  0  0  0
 12 29  1  0  0  0
 13 14  2  0  0  0
 13 30  1  0  0  0
 14 31  1  0  0  0
 15 16  1  0  0  0
 15 32  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 19  2  0  0  0
 18 33  1  0  0  0
 19 34  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2192271

>  <PubChem CID>
58345706

>  <Formula>
C15H15N3O

>  <Molecular Weight>
253.305000

>  <IUPAC Name>
3-phenyl-2-propyl-4H-imidazo[4,5-b]pyridin-5-one

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCC1=NC2=C(N1C3=CC=CC=C3)NC(=O)C=C2

>  <Isomeric SMILES>
CCCC1=NC2=C(N1C3=CC=CC=C3)NC(=O)C=C2

>  <InChI Std. ID>
InChI=1S/C15H15N3O/c1-2-6-13-16-12-9-10-14(19)17-15(12)18(13)11-7-4-3-5-8-11/h3-5,7-10H,2,6H2,1H3,(H,17,19)

>  <InChI Key>
MVUIEGUPTRJPGW-UHFFFAOYSA-N

