
 CHEMBL2381787

 63 66  0  0  0  0  0  0  0  0999 V2000
    1.5080    2.2562   -4.3049 C   0  0  0  0  0
    3.0097    2.3251   -4.0727 C   0  0  0  0  0
    3.3450    2.2785   -2.5827 C   0  0  0  0  0
    4.8550    2.3284   -2.3392 C   0  0  0  0  0
    5.1630    2.3316   -0.8400 C   0  0  0  0  0
    6.6117    2.4030   -0.5972 N   0  0  0  0  0
    7.2838    3.6194   -0.5556 C   0  0  0  0  0
    8.5896    3.7804   -0.2697 C   0  0  0  0  0
    9.3943    2.5672    0.0241 C   0  0  0  0  0
   10.5802    2.5877    0.3461 O   0  0  0  0  0
    8.6755    1.3601   -0.0852 N   0  0  0  0  0
    7.3266    1.2594   -0.3782 C   0  0  0  0  0
    7.0303   -0.0801   -0.3454 C   0  0  0  0  0
    8.2520   -0.7448   -0.0482 C   0  0  0  0  0
    9.2462    0.1456    0.1205 N   0  0  0  0  0
    8.4841   -2.1878    0.1385 C   0  0  0  0  0
    9.4006   -2.5770    1.1359 C   0  0  0  0  0
    9.6575   -3.9219    1.4076 C   0  0  0  0  0
    8.9995   -4.9081    0.6861 C   0  0  0  0  0
    8.0975   -4.5486   -0.3140 C   0  0  0  0  0
    7.8387   -3.1952   -0.6147 C   0  0  0  0  0
    6.8725   -2.9108   -1.7326 C   0  0  0  0  0
    9.1192    5.1694   -0.2587 C   0  0  0  0  0
    8.4470    6.1051   -0.6888 O   0  0  0  0  0
   10.3755    5.3391    0.2682 N   0  0  0  0  0
   10.9916    6.6577    0.3618 C   0  0  0  0  0
   12.4961    6.5493    0.6373 C   0  0  0  0  0
   13.1474    7.9291    0.7318 C   0  0  0  0  0
   12.4582    8.8167    1.7650 C   0  0  0  0  0
   10.9552    8.9052    1.5227 C   0  0  0  0  0
   10.3167    7.5208    1.4402 C   0  0  0  0  0
    1.2852    2.3266   -5.3741 H   0  0  0  0  0
    0.9927    3.0771   -3.7959 H   0  0  0  0  0
    1.0977    1.3114   -3.9341 H   0  0  0  0  0
    3.3988    3.2510   -4.5119 H   0  0  0  0  0
    3.4933    1.4900   -4.5921 H   0  0  0  0  0
    2.9337    1.3625   -2.1413 H   0  0  0  0  0
    2.8641    3.1243   -2.0757 H   0  0  0  0  0
    5.2744    3.2275   -2.8074 H   0  0  0  0  0
    5.3369    1.4677   -2.8188 H   0  0  0  0  0
    4.7252    1.4472   -0.3616 H   0  0  0  0  0
    4.6747    3.1936   -0.3662 H   0  0  0  0  0
    6.6422    4.4765   -0.7706 H   0  0  0  0  0
    6.0593   -0.5253   -0.4954 H   0  0  0  0  0
    9.9251   -1.8195    1.7173 H   0  0  0  0  0
   10.3700   -4.1925    2.1821 H   0  0  0  0  0
    9.1925   -5.9575    0.8943 H   0  0  0  0  0
    7.6002   -5.3394   -0.8734 H   0  0  0  0  0
    7.2485   -2.1189   -2.3872 H   0  0  0  0  0
    5.8941   -2.6352   -1.3284 H   0  0  0  0  0
    6.7271   -3.7934   -2.3660 H   0  0  0  0  0
   10.8997    4.5213    0.5804 H   0  0  0  0  0
   10.8479    7.1433   -0.6126 H   0  0  0  0  0
   12.9830    5.9693   -0.1558 H   0  0  0  0  0
   12.6666    6.0013    1.5733 H   0  0  0  0  0
   14.2069    7.8210    0.9902 H   0  0  0  0  0
   13.1070    8.4171   -0.2498 H   0  0  0  0  0
   12.6408    8.4164    2.7697 H   0  0  0  0  0
   12.8944    9.8218    1.7381 H   0  0  0  0  0
   10.4842    9.4819    2.3266 H   0  0  0  0  0
   10.7669    9.4488    0.5883 H   0  0  0  0  0
   10.3894    7.0223    2.4156 H   0  0  0  0  0
    9.2470    7.6369    1.2332 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  1  0  0  0
  2 35  1  0  0  0
  2 36  1  0  0  0
  3  4  1  0  0  0
  3 37  1  0  0  0
  3 38  1  0  0  0
  4  5  1  0  0  0
  4 39  1  0  0  0
  4 40  1  0  0  0
  5  6  1  0  0  0
  5 41  1  0  0  0
  5 42  1  0  0  0
  6  7  1  0  0  0
  6 12  1  0  0  0
  7  8  2  0  0  0
  7 43  1  0  0  0
  8  9  1  0  0  0
  8 23  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 15  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
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 14 16  1  0  0  0
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 16 21  1  0  0  0
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 18 19  2  0  0  0
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 20 21  2  0  0  0
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 21 22  1  0  0  0
 22 49  1  0  0  0
 22 50  1  0  0  0
 22 51  1  0  0  0
 23 25  1  0  0  0
 23 24  2  0  0  0
 25 26  1  0  0  0
 25 52  1  0  0  0
 26 31  1  0  0  0
 26 27  1  0  0  0
 26 53  1  0  0  0
 27 28  1  0  0  0
 27 54  1  0  0  0
 27 55  1  0  0  0
 28 29  1  0  0  0
 28 56  1  0  0  0
 28 57  1  0  0  0
 29 30  1  0  0  0
 29 58  1  0  0  0
 29 59  1  0  0  0
 30 31  1  0  0  0
 30 60  1  0  0  0
 30 61  1  0  0  0
 31 62  1  0  0  0
 31 63  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2381787

>  <PubChem CID>
71680879

>  <Formula>
C25H32N4O2

>  <Molecular Weight>
420.557000

>  <IUPAC Name>
N-cyclohexyl-2-(2-methylphenyl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide

>  <XlogP>
5.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCCCN1C=C(C(=O)N2C1=CC(=N2)C3=CC=CC=C3C)C(=O)NC4CCCCC4

>  <Isomeric SMILES>
CCCCCN1C=C(C(=O)N2C1=CC(=N2)C3=CC=CC=C3C)C(=O)NC4CCCCC4

>  <InChI Std. ID>
InChI=1S/C25H32N4O2/c1-3-4-10-15-28-17-21(24(30)26-19-12-6-5-7-13-19)25(31)29-23(28)16-22(27-29)20-14-9-8-11-18(20)2/h8-9,11,14,16-17,19H,3-7,10,12-13,15H2,1-2H3,(H,26,30)

>  <InChI Key>
BRARCMIUSRQKHO-UHFFFAOYSA-N

