
 CHEMBL492027

 63 66  0  0  0  0  0  0  0  0999 V2000
    1.5096   -1.3261   -2.1385 C   0  0  0  0  0
    2.7433   -0.7454   -1.4997 C   0  0  0  0  0
    2.9003    0.5411   -1.1104 C   0  0  0  0  0
    4.1747    0.8295   -0.3802 C   0  0  0  0  0
    5.1540    0.0048   -0.1609 N   0  0  0  0  0
    4.9834   -1.2692   -0.6318 C   0  0  0  0  0
    5.7919   -2.3953   -0.5982 C   0  0  0  0  0
    5.0234   -3.3929   -1.2314 C   0  0  0  0  0
    3.8332   -2.9627   -1.6417 N   0  0  0  0  0
    3.7969   -1.6544   -1.2757 N   0  0  0  0  0
    7.1258   -2.4916   -0.0208 C   0  0  0  0  0
    8.0141   -1.4118   -0.0392 C   0  0  0  0  0
    9.3067   -1.5327    0.4876 C   0  0  0  0  0
    9.7424   -2.7354    1.0575 C   0  0  0  0  0
    8.8543   -3.8208    1.0659 C   0  0  0  0  0
    7.5644   -3.7008    0.5350 C   0  0  0  0  0
   11.1386   -2.9161    1.6300 C   0  0  0  0  0
   12.0936   -3.4344    0.5522 C   0  0  0  0  0
   11.7136   -1.6583    2.2896 C   0  0  0  0  0
    1.9257    1.6549   -1.2934 C   0  0  0  0  0
    1.7749    2.5053   -0.4251 O   0  0  0  0  0
    1.2999    1.6944   -2.5106 N   0  0  0  0  0
    0.2264    2.6472   -2.8422 C   0  0  0  0  0
   -0.0354    2.5635   -4.3615 C   0  0  0  0  0
   -1.0322    3.5493   -4.9150 C   0  0  0  0  0
   -0.6344    4.8434   -5.2722 C   0  0  0  0  0
   -1.5515    5.7328   -5.8352 C   0  0  0  0  0
   -2.8744    5.3413   -6.0355 C   0  0  0  0  0
   -3.2839    4.0613   -5.6691 C   0  0  0  0  0
   -2.3674    3.1690   -5.1127 C   0  0  0  0  0
   -1.0430    2.3748   -2.0044 C   0  0  0  0  0
   -1.6071    1.1035   -2.3554 O   0  0  0  0  0
   -2.8397    0.8836   -1.6792 C   0  0  0  0  0
    0.6177   -0.7187   -1.9663 H   0  0  0  0  0
    1.2742   -2.3123   -1.7239 H   0  0  0  0  0
    1.6586   -1.4345   -3.2183 H   0  0  0  0  0
    4.2787    1.8626   -0.0052 H   0  0  0  0  0
    5.2910   -4.4253   -1.4183 H   0  0  0  0  0
    7.7184   -0.4596   -0.4735 H   0  0  0  0  0
    9.9615   -0.6669    0.4369 H   0  0  0  0  0
    9.1611   -4.7756    1.4885 H   0  0  0  0  0
    6.9085   -4.5670    0.5740 H   0  0  0  0  0
   11.0780   -3.6756    2.4216 H   0  0  0  0  0
   12.1913   -2.7217   -0.2743 H   0  0  0  0  0
   11.7395   -4.3828    0.1329 H   0  0  0  0  0
   13.0917   -3.6081    0.9689 H   0  0  0  0  0
   11.9257   -0.8707    1.5586 H   0  0  0  0  0
   12.6557   -1.8907    2.7985 H   0  0  0  0  0
   11.0215   -1.2529    3.0358 H   0  0  0  0  0
    1.4726    0.9571   -3.1792 H   0  0  0  0  0
    0.5965    3.6465   -2.5803 H   0  0  0  0  0
   -0.3462    1.5452   -4.6339 H   0  0  0  0  0
    0.9151    2.7081   -4.8944 H   0  0  0  0  0
    0.3967    5.1615   -5.1351 H   0  0  0  0  0
   -1.2316    6.7295   -6.1275 H   0  0  0  0  0
   -3.5846    6.0321   -6.4822 H   0  0  0  0  0
   -4.3144    3.7536   -5.8261 H   0  0  0  0  0
   -2.6985    2.1679   -4.8422 H   0  0  0  0  0
   -1.7831    3.1643   -2.1798 H   0  0  0  0  0
   -0.8072    2.3699   -0.9341 H   0  0  0  0  0
   -3.2026   -0.1138   -1.9410 H   0  0  0  0  0
   -3.5841    1.6195   -1.9991 H   0  0  0  0  0
   -2.7014    0.9337   -0.5950 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  3  2  0  0  0
  2 10  1  0  0  0
  3  4  1  0  0  0
  3 20  1  0  0  0
  4  5  2  0  0  0
  4 37  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 10  1  0  0  0
  7  8  1  0  0  0
  7 11  1  0  0  0
  8  9  2  0  0  0
  8 38  1  0  0  0
  9 10  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 39  1  0  0  0
 13 14  2  0  0  0
 13 40  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 41  1  0  0  0
 16 42  1  0  0  0
 17 19  1  0  0  0
 17 18  1  0  0  0
 17 43  1  0  0  0
 18 44  1  0  0  0
 18 45  1  0  0  0
 18 46  1  0  0  0
 19 47  1  0  0  0
 19 48  1  0  0  0
 19 49  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 23  1  0  0  0
 22 50  1  0  0  0
 23 31  1  0  0  0
 23 24  1  0  0  0
 23 51  1  0  0  0
 24 25  1  0  0  0
 24 52  1  0  0  0
 24 53  1  0  0  0
 25 26  2  0  0  0
 25 30  1  0  0  0
 26 27  1  0  0  0
 26 54  1  0  0  0
 27 28  2  0  0  0
 27 55  1  0  0  0
 28 29  1  0  0  0
 28 56  1  0  0  0
 29 30  2  0  0  0
 29 57  1  0  0  0
 30 58  1  0  0  0
 31 32  1  0  0  0
 31 59  1  0  0  0
 31 60  1  0  0  0
 32 33  1  0  0  0
 33 61  1  0  0  0
 33 62  1  0  0  0
 33 63  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL492027

>  <PubChem CID>
44579780

>  <Formula>
C27H30N4O2

>  <Molecular Weight>
442.563000

>  <IUPAC Name>
N-(1-methoxy-3-phenylpropan-2-yl)-7-methyl-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(C=NC2=C(C=NN12)C3=CC=C(C=C3)C(C)C)C(=O)NC(CC4=CC=CC=C4)COC

>  <Isomeric SMILES>
CC1=C(C=NC2=C(C=NN12)C3=CC=C(C=C3)C(C)C)C(=O)NC(CC4=CC=CC=C4)COC

>  <InChI Std. ID>
InChI=1S/C27H30N4O2/c1-18(2)21-10-12-22(13-11-21)25-16-29-31-19(3)24(15-28-26(25)31)27(32)30-23(17-33-4)14-20-8-6-5-7-9-20/h5-13,15-16,18,23H,14,17H2,1-4H3,(H,30,32)

>  <InChI Key>
CKMVPHVWDXGMBF-UHFFFAOYSA-N

