
 CHEMBL2381672

 57 60  0  0  0  0  0  0  0  0999 V2000
    0.7203    3.6184    1.8145 C   0  0  0  0  0
    2.2368    3.6926    1.8827 C   0  0  0  0  0
    2.8898    2.9553    0.7128 C   0  0  0  0  0
    4.4142    3.0251    0.8032 C   0  0  0  0  0
    5.0864    2.3928   -0.4223 C   0  0  0  0  0
    6.5539    2.4778   -0.3078 N   0  0  0  0  0
    7.2099    3.7045   -0.3346 C   0  0  0  0  0
    8.5285    3.8909   -0.1469 C   0  0  0  0  0
    9.3779    2.6944    0.0820 C   0  0  0  0  0
   10.5845    2.7343    0.3020 O   0  0  0  0  0
    8.6743    1.4753    0.0311 N   0  0  0  0  0
    7.3025    1.3460   -0.1462 C   0  0  0  0  0
    7.0393   -0.0016   -0.1114 C   0  0  0  0  0
    8.2978   -0.6188    0.0642 C   0  0  0  0  0
    9.2945    0.2700    0.1596 N   0  0  0  0  0
    8.5120   -2.0940    0.1340 C   0  0  0  0  0
    9.7253   -2.7420    0.2697 C   0  0  0  0  0
    9.4487   -4.1312    0.2901 C   0  0  0  0  0
    8.0853   -4.2491    0.1659 C   0  0  0  0  0
    7.5086   -3.0241    0.0667 O   0  0  0  0  0
    9.0284    5.2908   -0.1673 C   0  0  0  0  0
    8.2973    6.2233   -0.4871 O   0  0  0  0  0
   10.3365    5.4673    0.2083 N   0  0  0  0  0
   10.9347    6.7906    0.2921 C   0  0  0  0  0
   12.4548    6.7090    0.1302 C   0  0  0  0  0
   13.0911    8.0947    0.2042 C   0  0  0  0  0
   12.7166    8.8189    1.4946 C   0  0  0  0  0
   11.2048    8.8745    1.6983 C   0  0  0  0  0
   10.5675    7.4888    1.6091 C   0  0  0  0  0
    0.2767    4.1564    2.6582 H   0  0  0  0  0
    0.3767    2.5800    1.8549 H   0  0  0  0  0
    0.3465    4.0695    0.8899 H   0  0  0  0  0
    2.5771    3.2629    2.8320 H   0  0  0  0  0
    2.5436    4.7453    1.8756 H   0  0  0  0  0
    2.5547    3.4013   -0.2316 H   0  0  0  0  0
    2.5701    1.9065    0.7086 H   0  0  0  0  0
    4.7559    2.5197    1.7150 H   0  0  0  0  0
    4.7166    4.0753    0.8956 H   0  0  0  0  0
    4.7702    2.9163   -1.3336 H   0  0  0  0  0
    4.7436    1.3575   -0.5317 H   0  0  0  0  0
    6.5445    4.5493   -0.5100 H   0  0  0  0  0
    6.0850   -0.4965   -0.2151 H   0  0  0  0  0
   10.6909   -2.2595    0.3421 H   0  0  0  0  0
   10.1552   -4.9438    0.3837 H   0  0  0  0  0
    7.4059   -5.0897    0.1316 H   0  0  0  0  0
   10.8848    4.6575    0.4987 H   0  0  0  0  0
   10.5289    7.3854   -0.5370 H   0  0  0  0  0
   12.7048    6.2410   -0.8295 H   0  0  0  0  0
   12.8821    6.0666    0.9113 H   0  0  0  0  0
   14.1807    8.0050    0.1339 H   0  0  0  0  0
   12.7633    8.6912   -0.6564 H   0  0  0  0  0
   13.1790    8.3058    2.3465 H   0  0  0  0  0
   13.1229    9.8366    1.4761 H   0  0  0  0  0
   10.9808    9.3228    2.6729 H   0  0  0  0  0
   10.7593    9.5279    0.9378 H   0  0  0  0  0
   10.8969    6.8785    2.4602 H   0  0  0  0  0
    9.4790    7.5854    1.7012 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
  3 35  1  0  0  0
  3 36  1  0  0  0
  4  5  1  0  0  0
  4 37  1  0  0  0
  4 38  1  0  0  0
  5  6  1  0  0  0
  5 39  1  0  0  0
  5 40  1  0  0  0
  6  7  1  0  0  0
  6 12  1  0  0  0
  7  8  2  0  0  0
  7 41  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 42  1  0  0  0
 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 43  1  0  0  0
 18 19  2  0  0  0
 18 44  1  0  0  0
 19 20  1  0  0  0
 19 45  1  0  0  0
 21 23  1  0  0  0
 21 22  2  0  0  0
 23 24  1  0  0  0
 23 46  1  0  0  0
 24 29  1  0  0  0
 24 25  1  0  0  0
 24 47  1  0  0  0
 25 26  1  0  0  0
 25 48  1  0  0  0
 25 49  1  0  0  0
 26 27  1  0  0  0
 26 50  1  0  0  0
 26 51  1  0  0  0
 27 28  1  0  0  0
 27 52  1  0  0  0
 27 53  1  0  0  0
 28 29  1  0  0  0
 28 54  1  0  0  0
 28 55  1  0  0  0
 29 56  1  0  0  0
 29 57  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2381672

>  <PubChem CID>
71681348

>  <Formula>
C22H28N4O3

>  <Molecular Weight>
396.491000

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

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCCCN1C=C(C(=O)N2C1=CC(=N2)C3=CC=CO3)C(=O)NC4CCCCC4

>  <Isomeric SMILES>
CCCCCN1C=C(C(=O)N2C1=CC(=N2)C3=CC=CO3)C(=O)NC4CCCCC4

>  <InChI Std. ID>
InChI=1S/C22H28N4O3/c1-2-3-7-12-25-15-17(21(27)23-16-9-5-4-6-10-16)22(28)26-20(25)14-18(24-26)19-11-8-13-29-19/h8,11,13-16H,2-7,9-10,12H2,1H3,(H,23,27)

>  <InChI Key>
BSCFQWLVUOTQPC-UHFFFAOYSA-N

