
 CHEMBL2381789

 63 66  0  0  0  0  0  0  0  0999 V2000
    2.4999   -1.0257   -2.9717 C   0  0  0  0  0
    3.1675   -0.4597   -1.7294 C   0  0  0  0  0
    4.6919   -0.5304   -1.8261 C   0  0  0  0  0
    5.3459    0.0400   -0.5673 C   0  0  0  0  0
    6.8755    0.0517   -0.6730 C   0  0  0  0  0
    7.4661    0.5788    0.5705 N   0  0  0  0  0
    7.3375    1.9209    0.9176 C   0  0  0  0  0
    7.7258    2.4653    2.0846 C   0  0  0  0  0
    8.3422    1.5713    3.0987 C   0  0  0  0  0
    8.6966    1.9368    4.2158 O   0  0  0  0  0
    8.5002    0.2405    2.6721 N   0  0  0  0  0
    8.0934   -0.2607    1.4466 C   0  0  0  0  0
    8.4798   -1.5787    1.4330 C   0  0  0  0  0
    9.1174   -1.8087    2.6850 C   0  0  0  0  0
    9.0871   -0.7061    3.4496 N   0  0  0  0  0
    9.7430   -3.0486    3.1499 C   0  0  0  0  0
    9.7478   -3.3761    4.5118 C   0  0  0  0  0
   10.3367   -4.5640    4.9580 C   0  0  0  0  0
   10.9317   -5.4463    4.0496 C   0  0  0  0  0
   10.9534   -5.1087    2.6924 C   0  0  0  0  0
   10.3581   -3.9239    2.2452 C   0  0  0  0  0
   11.5969   -6.7009    4.5325 C   0  0  0  0  0
    7.5141    3.9263    2.2782 C   0  0  0  0  0
    6.9811    4.6147    1.4116 O   0  0  0  0  0
    7.9570    4.4353    3.4708 N   0  0  0  0  0
    7.7977    5.8354    3.8277 C   0  0  0  0  0
    8.8864    6.2569    4.8201 C   0  0  0  0  0
    8.7284    7.7157    5.2378 C   0  0  0  0  0
    7.3359    7.9914    5.7979 C   0  0  0  0  0
    6.2405    7.5618    4.8257 C   0  0  0  0  0
    6.4004    6.1034    4.4008 C   0  0  0  0  0
    1.4111   -0.9784   -2.8711 H   0  0  0  0  0
    2.7818   -2.0717   -3.1275 H   0  0  0  0  0
    2.7833   -0.4557   -3.8628 H   0  0  0  0  0
    2.8239   -1.0176   -0.8499 H   0  0  0  0  0
    2.8506    0.5813   -1.5957 H   0  0  0  0  0
    5.0304    0.0304   -2.7055 H   0  0  0  0  0
    5.0070   -1.5718   -1.9631 H   0  0  0  0  0
    5.0397   -0.5467    0.3065 H   0  0  0  0  0
    4.9772    1.0609   -0.4040 H   0  0  0  0  0
    7.1877    0.6830   -1.5151 H   0  0  0  0  0
    7.2381   -0.9571   -0.8999 H   0  0  0  0  0
    6.8745    2.5301    0.1408 H   0  0  0  0  0
    8.3442   -2.2914    0.6347 H   0  0  0  0  0
    9.2915   -2.7043    5.2371 H   0  0  0  0  0
   10.3284   -4.7914    6.0221 H   0  0  0  0  0
   11.4394   -5.7638    1.9725 H   0  0  0  0  0
   10.4042   -3.6877    1.1855 H   0  0  0  0  0
   11.5642   -7.4808    3.7644 H   0  0  0  0  0
   11.0884   -7.0966    5.4177 H   0  0  0  0  0
   12.6424   -6.4978    4.7851 H   0  0  0  0  0
    8.3133    3.7910    4.1797 H   0  0  0  0  0
    7.9141    6.4270    2.9099 H   0  0  0  0  0
    9.8771    6.1084    4.3727 H   0  0  0  0  0
    8.8493    5.6164    5.7109 H   0  0  0  0  0
    9.4849    7.9681    5.9886 H   0  0  0  0  0
    8.9086    8.3644    4.3715 H   0  0  0  0  0
    7.2122    7.4539    6.7461 H   0  0  0  0  0
    7.2334    9.0594    6.0202 H   0  0  0  0  0
    5.2587    7.7053    5.2906 H   0  0  0  0  0
    6.2700    8.2043    3.9372 H   0  0  0  0  0
    6.2200    5.4495    5.2645 H   0  0  0  0  0
    5.6312    5.8550    3.6596 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
 13 44  1  0  0  0
 14 15  2  0  0  0
 14 16  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 45  1  0  0  0
 18 19  2  0  0  0
 18 46  1  0  0  0
 19 20  1  0  0  0
 19 22  1  0  0  0
 20 21  2  0  0  0
 20 47  1  0  0  0
 21 48  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>
CHEMBL2381789

>  <PubChem CID>
71680882

>  <Formula>
C25H32N4O2

>  <Molecular Weight>
420.557000

>  <IUPAC Name>
N-cyclohexyl-2-(4-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=C(C=C3)C)C(=O)NC4CCCCC4

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

>  <InChI Std. ID>
InChI=1S/C25H32N4O2/c1-3-4-8-15-28-17-21(24(30)26-20-9-6-5-7-10-20)25(31)29-23(28)16-22(27-29)19-13-11-18(2)12-14-19/h11-14,16-17,20H,3-10,15H2,1-2H3,(H,26,30)

>  <InChI Key>
AMGJQOOMWKAPNL-UHFFFAOYSA-N

