
 CHEMBL2322923

 40 43  0  0  0  0  0  0  0  0999 V2000
    1.0402   -0.8036   -0.7591 C   0  0  0  0  0
    2.5153   -0.6530   -0.5286 C   0  0  0  0  0
    3.2626   -1.7888   -0.6437 N   0  0  0  0  0
    4.5599   -1.5301   -0.3940 C   0  0  0  0  0
    5.5827   -2.4286   -0.4168 C   0  0  0  0  0
    6.7112   -1.7127   -0.0894 N   0  0  0  0  0
    6.4418   -0.3873    0.1265 N   0  0  0  0  0
    5.1101   -0.2643   -0.0490 C   0  0  0  0  0
    4.2527    0.8510    0.0601 C   0  0  0  0  0
    2.9389    0.6068   -0.1932 N   0  0  0  0  0
    4.7675    2.1065    0.3927 N   0  0  0  0  0
    4.0069    3.2191    0.6696 C   0  0  0  0  0
    2.7876    3.2778    0.7522 O   0  0  0  0  0
    4.7921    4.4511    0.9488 C   0  0  0  0  0
    5.9252    4.7827    0.1950 C   0  0  0  0  0
    6.6266    5.9569    0.4776 C   0  0  0  0  0
    6.1993    6.7972    1.5068 C   0  0  0  0  0
    5.0647    6.4738    2.2510 C   0  0  0  0  0
    4.3561    5.3057    1.9685 C   0  0  0  0  0
    8.0424   -2.2080    0.0347 C   0  0  0  0  0
    8.3415   -3.5567   -0.2081 C   0  0  0  0  0
    9.6551   -4.0178   -0.0781 C   0  0  0  0  0
   10.6735   -3.1428    0.2946 C   0  0  0  0  0
   10.3839   -1.8023    0.5386 C   0  0  0  0  0
    9.0745   -1.3333    0.4090 C   0  0  0  0  0
    0.6255    0.1081   -1.1999 H   0  0  0  0  0
    0.5378   -0.9973    0.1929 H   0  0  0  0  0
    0.8387   -1.6351   -1.4412 H   0  0  0  0  0
    5.5867   -3.4858   -0.6241 H   0  0  0  0  0
    5.7717    2.1369    0.5169 H   0  0  0  0  0
    6.2500    4.1566   -0.6318 H   0  0  0  0  0
    7.4993    6.2252   -0.1130 H   0  0  0  0  0
    6.7443    7.7133    1.7219 H   0  0  0  0  0
    4.7263    7.1341    3.0455 H   0  0  0  0  0
    3.4638    5.0599    2.5412 H   0  0  0  0  0
    7.5843   -4.2771   -0.5015 H   0  0  0  0  0
    9.8842   -5.0639   -0.2684 H   0  0  0  0  0
   11.6932   -3.5062    0.3954 H   0  0  0  0  0
   11.1779   -1.1196    0.8314 H   0  0  0  0  0
    8.8773   -0.2819    0.6082 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2 10  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  4  8  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  6  7  1  0  0  0
  6 20  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 11 12  1  0  0  0
 11 30  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 31  1  0  0  0
 16 17  2  0  0  0
 16 32  1  0  0  0
 17 18  1  0  0  0
 17 33  1  0  0  0
 18 19  2  0  0  0
 18 34  1  0  0  0
 19 35  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 36  1  0  0  0
 22 23  2  0  0  0
 22 37  1  0  0  0
 23 24  1  0  0  0
 23 38  1  0  0  0
 24 25  2  0  0  0
 24 39  1  0  0  0
 25 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2322923

>  <PubChem CID>
71601786

>  <Formula>
C19H15N5O

>  <Molecular Weight>
329.363000

>  <IUPAC Name>
N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=NC2=CN(N=C2C(=N1)NC(=O)C3=CC=CC=C3)C4=CC=CC=C4

>  <Isomeric SMILES>
CC1=NC2=CN(N=C2C(=N1)NC(=O)C3=CC=CC=C3)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C19H15N5O/c1-13-20-16-12-24(15-10-6-3-7-11-15)23-17(16)18(21-13)22-19(25)14-8-4-2-5-9-14/h2-12H,1H3,(H,20,21,22,25)

>  <InChI Key>
FABCEMYYUZWPKX-UHFFFAOYSA-N

