
 CHEMBL2381673

 60 63  0  0  0  0  0  0  0  0999 V2000
    3.5587    0.4564   -3.5446 C   0  0  0  0  0
    3.7516   -0.8560   -2.8008 C   0  0  0  0  0
    4.4144   -0.6886   -1.4323 C   0  0  0  0  0
    5.8717   -0.2266   -1.5150 C   0  0  0  0  0
    6.5058   -0.1689   -0.1228 C   0  0  0  0  0
    7.9033    0.2896   -0.1964 N   0  0  0  0  0
    8.2424    1.6321   -0.0604 C   0  0  0  0  0
    9.4980    2.1209   -0.0559 C   0  0  0  0  0
   10.6208    1.1609   -0.2181 C   0  0  0  0  0
   11.8074    1.4748   -0.1922 O   0  0  0  0  0
   10.2156   -0.1721   -0.4063 N   0  0  0  0  0
    8.9036   -0.6185   -0.3974 C   0  0  0  0  0
    8.9571   -1.9743   -0.6089 C   0  0  0  0  0
   10.3320   -2.2687   -0.7436 C   0  0  0  0  0
   11.1033   -1.1819   -0.6152 N   0  0  0  0  0
   10.8846   -3.6294   -1.0022 C   0  0  0  0  0
   12.2185   -3.9545   -1.1600 C   0  0  0  0  0
   12.2759   -5.3505   -1.3891 C   0  0  0  0  0
   10.9758   -5.7949   -1.3557 C   0  0  0  0  0
   10.1253   -4.7623   -1.1242 O   0  0  0  0  0
    9.6751    3.5897    0.1079 C   0  0  0  0  0
    8.7115    4.3497    0.1178 O   0  0  0  0  0
   10.9722    4.0196    0.2404 N   0  0  0  0  0
   11.3278    5.4286    0.3887 C   0  0  0  0  0
   11.5617    5.7514    1.8685 C   0  0  0  0  0
   11.9127    7.2119    2.1571 C   0  0  0  0  0
   13.3211    7.5897    1.7099 C   0  0  0  0  0
   13.4447    8.0314    0.2552 C   0  0  0  0  0
   12.6798    7.2313   -0.7941 C   0  0  0  0  0
   12.5294    5.7394   -0.5140 C   0  0  0  0  0
    3.0235    0.2802   -4.4832 H   0  0  0  0  0
    4.5159    0.9239   -3.7919 H   0  0  0  0  0
    2.9718    1.1622   -2.9483 H   0  0  0  0  0
    4.3392   -1.5445   -3.4189 H   0  0  0  0  0
    2.7686   -1.3202   -2.6564 H   0  0  0  0  0
    4.3755   -1.6547   -0.9135 H   0  0  0  0  0
    3.8345    0.0184   -0.8264 H   0  0  0  0  0
    5.9295    0.7640   -1.9801 H   0  0  0  0  0
    6.4383   -0.9123   -2.1564 H   0  0  0  0  0
    6.4470   -1.1502    0.3652 H   0  0  0  0  0
    5.9280    0.5129    0.5153 H   0  0  0  0  0
    7.3824    2.2909    0.0522 H   0  0  0  0  0
    8.1327   -2.6690   -0.6701 H   0  0  0  0  0
   13.0444   -3.2569   -1.1162 H   0  0  0  0  0
   13.1551   -5.9561   -1.5579 H   0  0  0  0  0
   10.5124   -6.7646   -1.4738 H   0  0  0  0  0
   11.7243    3.3300    0.2514 H   0  0  0  0  0
   10.4703    6.0205    0.0452 H   0  0  0  0  0
   12.3435    5.0968    2.2762 H   0  0  0  0  0
   10.6495    5.5053    2.4284 H   0  0  0  0  0
   11.1664    7.8872    1.7232 H   0  0  0  0  0
   11.8613    7.3500    3.2449 H   0  0  0  0  0
   13.6748    8.4204    2.3343 H   0  0  0  0  0
   14.0113    6.7595    1.9032 H   0  0  0  0  0
   13.1303    9.0800    0.1730 H   0  0  0  0  0
   14.5108    8.0256   -0.0058 H   0  0  0  0  0
   11.6899    7.6810   -0.9425 H   0  0  0  0  0
   13.2022    7.3559   -1.7514 H   0  0  0  0  0
   12.3675    5.2420   -1.4802 H   0  0  0  0  0
   13.4543    5.3125   -0.1078 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  2 35  1  0  0  0
  3  4  1  0  0  0
  3 36  1  0  0  0
  3 37  1  0  0  0
  4  5  1  0  0  0
  4 38  1  0  0  0
  4 39  1  0  0  0
  5  6  1  0  0  0
  5 40  1  0  0  0
  5 41  1  0  0  0
  6  7  1  0  0  0
  6 12  1  0  0  0
  7  8  2  0  0  0
  7 42  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
 13 43  1  0  0  0
 14 15  2  0  0  0
 14 16  1  0  0  0
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 16 20  1  0  0  0
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 18 19  2  0  0  0
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 21 23  1  0  0  0
 21 22  2  0  0  0
 23 24  1  0  0  0
 23 47  1  0  0  0
 24 30  1  0  0  0
 24 25  1  0  0  0
 24 48  1  0  0  0
 25 26  1  0  0  0
 25 49  1  0  0  0
 25 50  1  0  0  0
 26 27  1  0  0  0
 26 51  1  0  0  0
 26 52  1  0  0  0
 27 28  1  0  0  0
 27 53  1  0  0  0
 27 54  1  0  0  0
 28 29  1  0  0  0
 28 55  1  0  0  0
 28 56  1  0  0  0
 29 30  1  0  0  0
 29 57  1  0  0  0
 29 58  1  0  0  0
 30 59  1  0  0  0
 30 60  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2381673

>  <PubChem CID>
71681349

>  <Formula>
C23H30N4O3

>  <Molecular Weight>
410.518000

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

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCCCN1C=C(C(=O)N2C1=CC(=N2)C3=CC=CO3)C(=O)NC4CCCCCC4

>  <Isomeric SMILES>
CCCCCN1C=C(C(=O)N2C1=CC(=N2)C3=CC=CO3)C(=O)NC4CCCCCC4

>  <InChI Std. ID>
InChI=1S/C23H30N4O3/c1-2-3-8-13-26-16-18(22(28)24-17-10-6-4-5-7-11-17)23(29)27-21(26)15-19(25-27)20-12-9-14-30-20/h9,12,14-17H,2-8,10-11,13H2,1H3,(H,24,28)

>  <InChI Key>
BOQLWDKHJXEOTP-UHFFFAOYSA-N

