
 SCHEMBL2195952

 28 30  0  0  0  0  0  0  0  0999 V2000
   -0.9948   -0.8517   -0.2340 C   0  0  0  0  0
   -1.1169    0.4992    0.4488 C   0  0  0  0  0
    0.1763    1.2078    0.0686 C   0  0  0  0  0
    1.2356    0.0940   -0.0034 C   0  0  0  0  0
    0.4605   -1.2350   -0.0017 C   0  0  0  0  0
    2.1405    0.2257   -1.1278 N   0  0  0  0  0
    1.7930    0.2502   -2.4617 C   0  0  0  0  0
    2.8458    0.3596   -3.2512 N   0  0  0  0  0
    3.8925    0.3971   -2.3955 C   0  0  0  0  0
    3.5017    0.3144   -1.0859 C   0  0  0  0  0
    4.4098    0.3227   -0.0517 N   0  0  0  0  0
    5.8127    0.4188   -0.3449 C   0  0  0  0  0
    6.5973    0.4205    0.5839 O   0  0  0  0  0
    6.1917    0.5085   -1.7817 C   0  0  0  0  0
    5.2550    0.4967   -2.7455 C   0  0  0  0  0
   -1.6880   -1.5907    0.1776 H   0  0  0  0  0
   -1.1950   -0.7549   -1.3074 H   0  0  0  0  0
   -1.1716    0.3711    1.5364 H   0  0  0  0  0
   -2.0035    1.0517    0.1248 H   0  0  0  0  0
    0.0476    1.7192   -0.8923 H   0  0  0  0  0
    0.4439    1.9722    0.8058 H   0  0  0  0  0
    1.8525    0.1335    0.9031 H   0  0  0  0  0
    0.8140   -1.9604   -0.7415 H   0  0  0  0  0
    0.5546   -1.7041    0.9860 H   0  0  0  0  0
    0.7652    0.1849   -2.7999 H   0  0  0  0  0
    4.1392    0.2606    0.9192 H   0  0  0  0  0
    7.2497    0.5813   -1.9977 H   0  0  0  0  0
    5.5239    0.5606   -3.7950 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  2  3  1  0  0  0
  2 18  1  0  0  0
  2 19  1  0  0  0
  3  4  1  0  0  0
  3 20  1  0  0  0
  3 21  1  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  4 22  1  0  0  0
  5 23  1  0  0  0
  5 24  1  0  0  0
  6  7  1  0  0  0
  6 10  1  0  0  0
  7  8  2  0  0  0
  7 25  1  0  0  0
  8  9  1  0  0  0
  9 15  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 26  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  2  0  0  0
 14 27  1  0  0  0
 15 28  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2195952

>  <PubChem CID>
58345662

>  <Formula>
C11H13N3O

>  <Molecular Weight>
203.245000

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

>  <XlogP>
1.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CCC(C1)N2C=NC3=C2NC(=O)C=C3

>  <Isomeric SMILES>
C1CCC(C1)N2C=NC3=C2NC(=O)C=C3

>  <InChI Std. ID>
InChI=1S/C11H13N3O/c15-10-6-5-9-11(13-10)14(7-12-9)8-3-1-2-4-8/h5-8H,1-4H2,(H,13,15)

>  <InChI Key>
HZOHLSBCUNEGSM-UHFFFAOYSA-N

