
 CHEMBL574416

 34 37  0  0  0  0  0  0  0  0999 V2000
   -0.3278    3.3991    0.2020 C   0  0  0  0  0
    0.8039    4.1106   -0.1916 C   0  0  0  0  0
    2.0384    3.4638   -0.2964 C   0  0  0  0  0
    2.1436    2.0985    0.0037 C   0  0  0  0  0
    0.9975    1.3868    0.3824 C   0  0  0  0  0
   -0.2338    2.0371    0.4848 C   0  0  0  0  0
    3.4426    1.3720   -0.0893 C   0  0  0  0  0
    3.4553    0.0998   -0.3832 N   0  0  0  0  0
    4.7326   -0.4529   -0.4410 C   0  0  0  0  0
    5.0885   -1.7356   -0.7329 C   0  0  0  0  0
    6.4694   -1.7673   -0.6619 N   0  0  0  0  0
    6.9885   -0.5441   -0.3316 N   0  0  0  0  0
    5.9150    0.2449   -0.2020 C   0  0  0  0  0
    5.8733    1.6475    0.1431 C   0  0  0  0  0
    6.8361    2.3651    0.3986 O   0  0  0  0  0
    4.5791    2.1325    0.1708 N   0  0  0  0  0
    7.3290   -2.8807   -0.8869 C   0  0  0  0  0
    8.7184   -2.7142   -0.7679 C   0  0  0  0  0
    9.5789   -3.7921   -0.9846 C   0  0  0  0  0
    9.0623   -5.0415   -1.3208 C   0  0  0  0  0
    7.6839   -5.2152   -1.4408 C   0  0  0  0  0
    6.8161   -4.1405   -1.2254 C   0  0  0  0  0
   -1.2885    3.9039    0.2792 H   0  0  0  0  0
    0.7221    5.1691   -0.4287 H   0  0  0  0  0
    2.8918    4.0377   -0.6445 H   0  0  0  0  0
    1.0579    0.3225    0.6030 H   0  0  0  0  0
   -1.1188    1.4800    0.7813 H   0  0  0  0  0
    4.4925   -2.5986   -0.9781 H   0  0  0  0  0
    4.5125    3.0963    0.4566 H   0  0  0  0  0
    9.1471   -1.7479   -0.5064 H   0  0  0  0  0
   10.6532   -3.6537   -0.8904 H   0  0  0  0  0
    9.7338   -5.8794   -1.4891 H   0  0  0  0  0
    7.2843   -6.1916   -1.7033 H   0  0  0  0  0
    5.7512   -4.3234   -1.3304 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  3  4  2  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 26  1  0  0  0
  6 27  1  0  0  0
  7 16  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  9 13  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 28  1  0  0  0
 11 12  1  0  0  0
 11 17  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 29  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 30  1  0  0  0
 19 20  2  0  0  0
 19 31  1  0  0  0
 20 21  1  0  0  0
 20 32  1  0  0  0
 21 22  2  0  0  0
 21 33  1  0  0  0
 22 34  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL574416

>  <PubChem CID>
135911554

>  <Formula>
C17H12N4O

>  <Molecular Weight>
288.310000

>  <IUPAC Name>
2,5-diphenyl-6H-pyrazolo[4,3-d]pyrimidin-7-one

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC=C(C=C1)C2=NC3=CN(N=C3C(=O)N2)C4=CC=CC=C4

>  <Isomeric SMILES>
C1=CC=C(C=C1)C2=NC3=CN(N=C3C(=O)N2)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C17H12N4O/c22-17-15-14(11-21(20-15)13-9-5-2-6-10-13)18-16(19-17)12-7-3-1-4-8-12/h1-11H,(H,18,19,22)

>  <InChI Key>
AACAQPYJOQPZBF-UHFFFAOYSA-N

