
 SCHEMBL2193083

 35 37  0  0  0  0  0  0  0  0999 V2000
   -1.5773    0.6952   -0.0339 C   0  0  0  0  0
   -1.5037   -0.8282   -0.0157 C   0  0  0  0  0
   -0.2567   -1.4264    0.6401 C   0  0  0  0  0
    1.0163   -1.1878   -0.1925 C   0  0  0  0  0
    1.7335    0.1428    0.1273 C   0  0  0  0  0
    0.8492    1.3930    0.2208 C   0  0  0  0  0
   -0.3852    1.4063   -0.6743 C   0  0  0  0  0
    2.4933    0.0372    1.3349 O   0  0  0  0  0
    1.9461   -2.3165   -0.1256 N   0  0  0  0  0
    2.3300   -3.0036    1.0068 C   0  0  0  0  0
    3.1510   -4.0016    0.7340 N   0  0  0  0  0
    3.3222   -3.9243   -0.6050 C   0  0  0  0  0
    2.6037   -2.9040   -1.1684 C   0  0  0  0  0
    2.6386   -2.6464   -2.5200 N   0  0  0  0  0
    3.4540   -3.4658   -3.3728 C   0  0  0  0  0
    3.4706   -3.2191   -4.5633 O   0  0  0  0  0
    4.2160   -4.5640   -2.7187 C   0  0  0  0  0
    4.1368   -4.7646   -1.3920 C   0  0  0  0  0
   -2.4825    0.9792   -0.5855 H   0  0  0  0  0
   -1.7202    1.0631    0.9899 H   0  0  0  0  0
   -1.5936   -1.2065   -1.0418 H   0  0  0  0  0
   -2.3856   -1.2011    0.5205 H   0  0  0  0  0
   -0.1399   -1.0441    1.6611 H   0  0  0  0  0
   -0.4413   -2.5048    0.7337 H   0  0  0  0  0
    0.7123   -1.1544   -1.2475 H   0  0  0  0  0
    2.4716    0.3111   -0.6678 H   0  0  0  0  0
    0.5492    1.5820    1.2596 H   0  0  0  0  0
    1.4791    2.2541   -0.0413 H   0  0  0  0  0
   -0.6748    2.4544   -0.8240 H   0  0  0  0  0
   -0.1666    1.0029   -1.6690 H   0  0  0  0  0
    1.9423    0.2855    2.0987 H   0  0  0  0  0
    1.9840   -2.7348    1.9976 H   0  0  0  0  0
    2.1211   -1.8962   -2.9529 H   0  0  0  0  0
    4.8286   -5.1789   -3.3655 H   0  0  0  0  0
    4.6910   -5.5616   -0.9069 H   0  0  0  0  0
  1  7  1  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  2 22  1  0  0  0
  3  4  1  0  0  0
  3 23  1  0  0  0
  3 24  1  0  0  0
  4  5  1  0  0  0
  4  9  1  0  0  0
  4 25  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  5 26  1  0  0  0
  6  7  1  0  0  0
  6 27  1  0  0  0
  6 28  1  0  0  0
  7 29  1  0  0  0
  7 30  1  0  0  0
  8 31  1  0  0  0
  9 10  1  0  0  0
  9 13  1  0  0  0
 10 11  2  0  0  0
 10 32  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 33  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  2  0  0  0
 17 34  1  0  0  0
 18 35  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2193083

>  <PubChem CID>
58345753

>  <Formula>
C13H17N3O2

>  <Molecular Weight>
247.298000

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

>  <XlogP>
0.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CCC(C(CC1)O)N2C=NC3=C2NC(=O)C=C3

>  <Isomeric SMILES>
C1CCC(C(CC1)O)N2C=NC3=C2NC(=O)C=C3

>  <InChI Std. ID>
InChI=1S/C13H17N3O2/c17-11-5-3-1-2-4-10(11)16-8-14-9-6-7-12(18)15-13(9)16/h6-8,10-11,17H,1-5H2,(H,15,18)

>  <InChI Key>
KWLVHVJIXGNKQB-UHFFFAOYSA-N

