
 CHEMBL3763395

 43 45  0  0  0  0  0  0  0  0999 V2000
    1.0857    1.2730    1.3905 C   0  0  0  0  0
    2.6201    1.2928    1.5399 C   0  0  0  0  0
    3.0202    2.6086    2.2282 C   0  0  0  0  0
    3.0335    0.1155    2.4378 C   0  0  0  0  0
    3.2404    1.1776    0.1190 C   0  0  0  0  0
    4.6829    1.1767    0.0681 N   0  0  0  0  0
    5.5158    0.0499    0.0411 C   0  0  0  0  0
    6.8373    0.4786    0.0002 C   0  0  0  0  0
    7.9129   -0.3172   -0.0299 N   0  0  0  0  0
    7.6526   -1.6546   -0.0182 C   0  0  0  0  0
    6.3345   -2.1616    0.0052 C   0  0  0  0  0
    5.2368   -1.2939    0.0369 C   0  0  0  0  0
    8.8448   -2.5325   -0.0473 C   0  0  0  0  0
   10.0361   -2.1025   -0.6632 C   0  0  0  0  0
   11.1746   -2.9130   -0.7052 C   0  0  0  0  0
   11.1496   -4.1772   -0.1261 C   0  0  0  0  0
    9.9902   -4.6266    0.4983 C   0  0  0  0  0
    8.8526   -3.8120    0.5394 C   0  0  0  0  0
    6.8270    1.8730   -0.0161 N   0  0  0  0  0
    5.5010    2.3297    0.0075 C   0  0  0  0  0
    5.1248    3.4905   -0.0208 O   0  0  0  0  0
    8.0130    2.6738   -0.0564 C   0  0  0  0  0
    0.7459    0.3428    0.9215 H   0  0  0  0  0
    0.7377    2.1071    0.7708 H   0  0  0  0  0
    0.5898    1.3537    2.3647 H   0  0  0  0  0
    2.7737    3.4737    1.6028 H   0  0  0  0  0
    4.0922    2.6400    2.4482 H   0  0  0  0  0
    2.4936    2.7307    3.1819 H   0  0  0  0  0
    2.7688   -0.8437    1.9805 H   0  0  0  0  0
    2.5291    0.1664    3.4098 H   0  0  0  0  0
    4.1104    0.1156    2.6348 H   0  0  0  0  0
    2.8997    2.0291   -0.4846 H   0  0  0  0  0
    2.8721    0.2761   -0.3858 H   0  0  0  0  0
    6.1542   -3.2322   -0.0197 H   0  0  0  0  0
    4.2248   -1.6778    0.0498 H   0  0  0  0  0
   10.0818   -1.1155   -1.1216 H   0  0  0  0  0
   12.0785   -2.5508   -1.1881 H   0  0  0  0  0
   12.0344   -4.8075   -0.1550 H   0  0  0  0  0
    9.9706   -5.6096    0.9622 H   0  0  0  0  0
    7.9758   -4.1908    1.0592 H   0  0  0  0  0
    7.7523    3.7357   -0.0666 H   0  0  0  0  0
    8.5820    2.4360   -0.9598 H   0  0  0  0  0
    8.6205    2.4642    0.8289 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  5  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  4 29  1  0  0  0
  4 30  1  0  0  0
  4 31  1  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  5 33  1  0  0  0
  6  7  1  0  0  0
  6 20  1  0  0  0
  7 12  1  0  0  0
  7  8  2  0  0  0
  8 19  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 34  1  0  0  0
 12 35  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 36  1  0  0  0
 15 16  2  0  0  0
 15 37  1  0  0  0
 16 17  1  0  0  0
 16 38  1  0  0  0
 17 18  2  0  0  0
 17 39  1  0  0  0
 18 40  1  0  0  0
 19 20  1  0  0  0
 19 22  1  0  0  0
 20 21  2  0  0  0
 22 41  1  0  0  0
 22 42  1  0  0  0
 22 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3763395

>  <PubChem CID>
89735186

>  <Formula>
C18H21N3O

>  <Molecular Weight>
295.386000

>  <IUPAC Name>
1-(2,2-dimethylpropyl)-3-methyl-5-phenylimidazo[4,5-b]pyridin-2-one

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(C)(C)CN1C2=C(N=C(C=C2)C3=CC=CC=C3)N(C1=O)C

>  <Isomeric SMILES>
CC(C)(C)CN1C2=C(N=C(C=C2)C3=CC=CC=C3)N(C1=O)C

>  <InChI Std. ID>
InChI=1S/C18H21N3O/c1-18(2,3)12-21-15-11-10-14(13-8-6-5-7-9-13)19-16(15)20(4)17(21)22/h5-11H,12H2,1-4H3

>  <InChI Key>
AVNIJTATMLPIDY-UHFFFAOYSA-N

