
 CHEMBL3288653

 46 50  0  0  0  0  0  0  0  0999 V2000
    5.7148    2.1029    0.4065 C   0  0  0  0  0
    4.8121    0.9372    0.1285 C   0  0  0  0  0
    3.4344    1.1240   -0.0206 C   0  0  0  0  0
    2.6037    0.0418   -0.3079 C   0  0  0  0  0
    3.1433   -1.2380   -0.4540 C   0  0  0  0  0
    4.5230   -1.4472   -0.3214 C   0  0  0  0  0
    5.3493   -0.3477   -0.0406 C   0  0  0  0  0
    5.0982   -2.7860   -0.4732 C   0  0  0  0  0
    6.3685   -2.9661   -0.8801 N   0  0  0  0  0
    6.5274   -4.2981   -0.9154 N   0  0  0  0  0
    5.4059   -4.9843   -0.5244 C   0  0  0  0  0
    4.4597   -4.0386   -0.2264 C   0  0  0  0  0
    5.3256   -6.3701   -0.4698 N   0  0  0  0  0
    6.5048   -7.1199   -0.8455 C   0  0  0  0  0
    6.4852   -8.3367   -0.7782 O   0  0  0  0  0
    7.7021   -6.3536   -1.2994 C   0  0  0  0  0
    7.7019   -4.9532   -1.3174 C   0  0  0  0  0
    8.8311   -4.2335   -1.7308 C   0  0  0  0  0
    9.9910   -4.9077   -2.1563 C   0  0  0  0  0
    9.9699   -6.3181   -2.1440 C   0  0  0  0  0
    8.8454   -7.0364   -1.7158 C   0  0  0  0  0
   11.1870   -4.1656   -2.6041 C   0  0  0  0  0
   12.4835   -4.5784   -2.2826 C   0  0  0  0  0
   13.6221   -3.9508   -2.6665 N   0  0  0  0  0
   13.4778   -2.8367   -3.4105 C   0  0  0  0  0
   12.2492   -2.3260   -3.7868 C   0  0  0  0  0
   11.0975   -3.0008   -3.3804 C   0  0  0  0  0
    4.1312   -7.0868   -0.0154 C   0  0  0  0  0
    5.1706    2.9117    0.9056 H   0  0  0  0  0
    6.1320    2.4853   -0.5300 H   0  0  0  0  0
    6.5353    1.8073    1.0687 H   0  0  0  0  0
    2.9996    2.1161    0.0840 H   0  0  0  0  0
    1.5339    0.1987   -0.4247 H   0  0  0  0  0
    2.4695   -2.0561   -0.6928 H   0  0  0  0  0
    6.4248   -0.4909    0.0548 H   0  0  0  0  0
    3.4512   -4.1990    0.1232 H   0  0  0  0  0
    8.8122   -3.1433   -1.7140 H   0  0  0  0  0
   10.8378   -6.8828   -2.4865 H   0  0  0  0  0
    8.8752   -8.1255   -1.7205 H   0  0  0  0  0
   12.6608   -5.4598   -1.6709 H   0  0  0  0  0
   14.4033   -2.3507   -3.7058 H   0  0  0  0  0
   12.1867   -1.4246   -4.3867 H   0  0  0  0  0
   10.1314   -2.6089   -3.6897 H   0  0  0  0  0
    4.1355   -8.1254   -0.3580 H   0  0  0  0  0
    3.2313   -6.6119   -0.4186 H   0  0  0  0  0
    4.0956   -7.0684    1.0779 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
  4  5  2  0  0  0
  4 33  1  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  7 35  1  0  0  0
  8 12  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
 10 17  1  0  0  0
 10 11  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 12 36  1  0  0  0
 13 14  1  0  0  0
 13 28  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 18 19  2  0  0  0
 18 37  1  0  0  0
 19 20  1  0  0  0
 19 22  1  0  0  0
 20 21  2  0  0  0
 20 38  1  0  0  0
 21 39  1  0  0  0
 22 23  2  0  0  0
 22 27  1  0  0  0
 23 24  1  0  0  0
 23 40  1  0  0  0
 24 25  2  0  0  0
 25 26  1  0  0  0
 25 41  1  0  0  0
 26 27  2  0  0  0
 26 42  1  0  0  0
 27 43  1  0  0  0
 28 44  1  0  0  0
 28 45  1  0  0  0
 28 46  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3288653

>  <PubChem CID>
90643963

>  <Formula>
C23H18N4O

>  <Molecular Weight>
366.424000

>  <IUPAC Name>
4-methyl-2-(3-methylphenyl)-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC=CC(=C1)C2=NN3C(=C2)N(C(=O)C4=C3C=C(C=C4)C5=CN=CC=C5)C

>  <Isomeric SMILES>
CC1=CC=CC(=C1)C2=NN3C(=C2)N(C(=O)C4=C3C=C(C=C4)C5=CN=CC=C5)C

>  <InChI Std. ID>
InChI=1S/C23H18N4O/c1-15-5-3-6-17(11-15)20-13-22-26(2)23(28)19-9-8-16(12-21(19)27(22)25-20)18-7-4-10-24-14-18/h3-14H,1-2H3

>  <InChI Key>
FCRIVGSDJJARHL-UHFFFAOYSA-N

