
 CHEMBL2381674

 65 70  0  0  0  0  0  0  0  0999 V2000
    3.3906    2.6180   -4.7714 C   0  0  0  0  0
    3.0422    1.4690   -3.8377 C   0  0  0  0  0
    3.4232    1.7295   -2.3788 C   0  0  0  0  0
    4.9328    1.8416   -2.1594 C   0  0  0  0  0
    5.2676    2.0245   -0.6757 C   0  0  0  0  0
    6.7221    2.1615   -0.4897 N   0  0  0  0  0
    7.3600    3.3921   -0.6178 C   0  0  0  0  0
    8.6893    3.5926   -0.5398 C   0  0  0  0  0
    9.5576    2.4115   -0.2879 C   0  0  0  0  0
   10.7788    2.4665   -0.1775 O   0  0  0  0  0
    8.8631    1.1926   -0.2034 N   0  0  0  0  0
    7.4893    1.0447   -0.3120 C   0  0  0  0  0
    7.2391   -0.3019   -0.2162 C   0  0  0  0  0
    8.5081   -0.8978   -0.0442 C   0  0  0  0  0
    9.4980    0.0033   -0.0228 N   0  0  0  0  0
    8.7433   -2.3641    0.0939 C   0  0  0  0  0
    9.9666   -2.9838    0.2665 C   0  0  0  0  0
    9.7142   -4.3751    0.3432 C   0  0  0  0  0
    8.3539   -4.5223    0.2122 C   0  0  0  0  0
    7.7561   -3.3124    0.0622 O   0  0  0  0  0
    9.2032    4.9742   -0.7547 C   0  0  0  0  0
    8.4408    5.8829   -1.0709 O   0  0  0  0  0
   10.5576    5.1332   -0.5965 N   0  0  0  0  0
   11.3090    6.3545   -0.9057 C   0  0  0  0  0
   12.7852    6.1445   -0.4689 C   0  0  0  0  0
   13.6370    7.3848   -0.7829 C   0  0  0  0  0
   13.0615    8.5961   -0.0331 C   0  0  0  0  0
   11.6099    8.8409   -0.4716 C   0  0  0  0  0
   10.7657    7.5953   -0.1500 C   0  0  0  0  0
   11.5717    9.1011   -1.9877 C   0  0  0  0  0
   12.1441    7.8917   -2.7465 C   0  0  0  0  0
   13.5947    7.6544   -2.2956 C   0  0  0  0  0
   11.2984    6.6457   -2.4269 C   0  0  0  0  0
    3.0090    2.4136   -5.7772 H   0  0  0  0  0
    4.4726    2.7571   -4.8518 H   0  0  0  0  0
    2.9452    3.5558   -4.4244 H   0  0  0  0  0
    3.5268    0.5517   -4.1920 H   0  0  0  0  0
    1.9605    1.2958   -3.8882 H   0  0  0  0  0
    3.0331    0.9048   -1.7694 H   0  0  0  0  0
    2.9287    2.6436   -2.0280 H   0  0  0  0  0
    5.3323    2.6907   -2.7257 H   0  0  0  0  0
    5.4282    0.9426   -2.5457 H   0  0  0  0  0
    4.8746    1.1863   -0.0875 H   0  0  0  0  0
    4.7636    2.9205   -0.2903 H   0  0  0  0  0
    6.6772    4.2183   -0.8090 H   0  0  0  0  0
    6.2848   -0.8051   -0.2682 H   0  0  0  0  0
   10.9226   -2.4806    0.3277 H   0  0  0  0  0
   10.4342   -5.1698    0.4761 H   0  0  0  0  0
    7.6902   -5.3757    0.2051 H   0  0  0  0  0
   11.1081    4.2919   -0.4159 H   0  0  0  0  0
   13.2089    5.2692   -0.9788 H   0  0  0  0  0
   12.8314    5.9248    0.6060 H   0  0  0  0  0
   14.6718    7.2128   -0.4668 H   0  0  0  0  0
   13.1013    8.4216    1.0487 H   0  0  0  0  0
   13.6694    9.4863   -0.2351 H   0  0  0  0  0
   11.2047    9.7082    0.0611 H   0  0  0  0  0
   10.7675    7.4084    0.9315 H   0  0  0  0  0
    9.7265    7.8036   -0.4245 H   0  0  0  0  0
   12.1514   10.0009   -2.2273 H   0  0  0  0  0
   10.5410    9.2913   -2.3102 H   0  0  0  0  0
   12.1207    8.0866   -3.8244 H   0  0  0  0  0
   14.0228    6.8046   -2.8402 H   0  0  0  0  0
   14.2100    8.5298   -2.5368 H   0  0  0  0  0
   10.2732    6.8005   -2.7839 H   0  0  0  0  0
   11.6884    5.7806   -2.9789 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  1  0  0  0
  2 37  1  0  0  0
  2 38  1  0  0  0
  3  4  1  0  0  0
  3 39  1  0  0  0
  3 40  1  0  0  0
  4  5  1  0  0  0
  4 41  1  0  0  0
  4 42  1  0  0  0
  5  6  1  0  0  0
  5 43  1  0  0  0
  5 44  1  0  0  0
  6  7  1  0  0  0
  6 12  1  0  0  0
  7  8  2  0  0  0
  7 45  1  0  0  0
  8  9  1  0  0  0
  8 21  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 15  2  0  0  0
 14 16  1  0  0  0
 16 17  2  0  0  0
 16 20  1  0  0  0
 17 18  1  0  0  0
 17 47  1  0  0  0
 18 19  2  0  0  0
 18 48  1  0  0  0
 19 20  1  0  0  0
 19 49  1  0  0  0
 21 23  1  0  0  0
 21 22  2  0  0  0
 23 24  1  0  0  0
 23 50  1  0  0  0
 24 25  1  0  0  0
 24 29  1  0  0  0
 24 33  1  0  0  0
 25 26  1  0  0  0
 25 51  1  0  0  0
 25 52  1  0  0  0
 26 27  1  0  0  0
 26 32  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 30  1  0  0  0
 28 56  1  0  0  0
 29 57  1  0  0  0
 29 58  1  0  0  0
 30 31  1  0  0  0
 30 59  1  0  0  0
 30 60  1  0  0  0
 31 32  1  0  0  0
 31 33  1  0  0  0
 31 61  1  0  0  0
 32 62  1  0  0  0
 32 63  1  0  0  0
 33 64  1  0  0  0
 33 65  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2381674

>  <PubChem CID>
71681350

>  <Formula>
C26H32N4O3

>  <Molecular Weight>
448.567000

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

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCCCN1C=C(C(=O)N2C1=CC(=N2)C3=CC=CO3)C(=O)NC45CC6CC(C4)CC(C6)C5

>  <Isomeric SMILES>
CCCCCN1C=C(C(=O)N2C1=CC(=N2)C3=CC=CO3)C(=O)NC45CC6CC(C4)CC(C6)C5

>  <InChI Std. ID>
InChI=1S/C26H32N4O3/c1-2-3-4-7-29-16-20(25(32)30-23(29)12-21(28-30)22-6-5-8-33-22)24(31)27-26-13-17-9-18(14-26)11-19(10-17)15-26/h5-6,8,12,16-19H,2-4,7,9-11,13-15H2,1H3,(H,27,31)

>  <InChI Key>
HBXGMYPLVUUOLH-UHFFFAOYSA-N

