
 SCHEMBL2194878

 34 36  0  0  0  0  0  0  0  0999 V2000
    1.5949   -0.5877    0.9407 C   0  0  0  0  0
    2.1307   -0.0826   -0.4056 C   0  0  0  0  0
    0.9563    0.1176   -1.3799 C   0  0  0  0  0
    2.9846    1.1685   -0.2025 C   0  0  0  0  0
    2.2973    2.3854    0.0201 C   0  0  0  0  0
    2.9624    3.6027    0.1630 C   0  0  0  0  0
    4.3445    3.6390    0.1152 C   0  0  0  0  0
    5.0582    2.4578   -0.0759 C   0  0  0  0  0
    4.4025    1.2169   -0.2471 C   0  0  0  0  0
    5.2415    0.0741   -0.4138 N   0  0  0  0  0
    5.0569   -1.2108    0.0772 C   0  0  0  0  0
    6.0695   -2.0233   -0.1646 N   0  0  0  0  0
    6.9536   -1.2440   -0.8177 C   0  0  0  0  0
    6.4936    0.0295   -1.0105 C   0  0  0  0  0
    7.2394    0.9592   -1.7174 N   0  0  0  0  0
    8.5482    0.6167   -2.1905 C   0  0  0  0  0
    9.1918    1.4646   -2.7775 O   0  0  0  0  0
    9.0121   -0.7705   -1.9239 C   0  0  0  0  0
    8.2251   -1.6473   -1.2757 C   0  0  0  0  0
    2.3946   -0.7148    1.6758 H   0  0  0  0  0
    1.0939   -1.5532    0.8170 H   0  0  0  0  0
    0.8706    0.1113    1.3727 H   0  0  0  0  0
    2.7364   -0.8644   -0.8700 H   0  0  0  0  0
    0.1742    0.7611   -0.9654 H   0  0  0  0  0
    0.4877   -0.8452   -1.6088 H   0  0  0  0  0
    1.2962    0.5600   -2.3230 H   0  0  0  0  0
    1.2095    2.4048    0.0845 H   0  0  0  0  0
    2.3950    4.5167    0.3261 H   0  0  0  0  0
    4.8676    4.5824    0.2573 H   0  0  0  0  0
    6.1411    2.5329   -0.0087 H   0  0  0  0  0
    4.1942   -1.4952    0.6603 H   0  0  0  0  0
    6.8852    1.8787   -1.9422 H   0  0  0  0  0
    9.9996   -1.0290   -2.2844 H   0  0  0  0  0
    8.5540   -2.6640   -1.0868 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  4  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  6  7  2  0  0  0
  6 28  1  0  0  0
  7  8  1  0  0  0
  7 29  1  0  0  0
  8  9  2  0  0  0
  8 30  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 14  1  0  0  0
 11 12  2  0  0  0
 11 31  1  0  0  0
 12 13  1  0  0  0
 13 19  1  0  0  0
 13 14  2  0  0  0
 14 15  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>
SCHEMBL2194878

>  <PubChem CID>
58345663

>  <Formula>
C15H15N3O

>  <Molecular Weight>
253.305000

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

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(C)C1=CC=CC=C1N2C=NC3=C2NC(=O)C=C3

>  <Isomeric SMILES>
CC(C)C1=CC=CC=C1N2C=NC3=C2NC(=O)C=C3

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

>  <InChI Key>
KSDQMCWSEQIDBX-UHFFFAOYSA-N

