
 CHEMBL181860

 53 55  0  0  0  0  0  0  0  0999 V2000
    0.9309    1.6307   -1.7625 C   0  0  0  0  0
    2.4500    1.5739   -1.7902 C   0  0  0  0  0
    3.0248    1.3213   -0.3949 C   0  0  0  0  0
    4.5044    1.3740   -0.4008 N   0  0  0  0  0
    5.1437    0.0809   -0.7277 C   0  0  0  0  0
    5.7579    0.0960   -2.1303 C   0  0  0  0  0
    6.3877   -1.2461   -2.4718 C   0  0  0  0  0
    5.2491    2.5647   -0.1176 C   0  0  0  0  0
    6.5803    2.5338    0.1127 C   0  0  0  0  0
    7.2914    3.8125    0.3859 C   0  0  0  0  0
    6.7395    4.9852    0.3891 N   0  0  0  0  0
    5.3986    5.0331    0.1277 C   0  0  0  0  0
    4.5358    6.1074   -0.0164 C   0  0  0  0  0
    3.2590    5.5226   -0.1799 C   0  0  0  0  0
    3.3152    4.1926   -0.2476 N   0  0  0  0  0
    4.6303    3.8669   -0.0801 N   0  0  0  0  0
    1.9463    6.2084   -0.2922 C   0  0  0  0  0
    4.8875    7.5185    0.0778 C   0  0  0  0  0
    4.0225    8.2326    0.8495 N   0  0  0  0  0
    4.2355    9.5620    0.9677 C   0  0  0  0  0
    5.2720   10.2285    0.3478 C   0  0  0  0  0
    6.1413    9.5009   -0.4515 C   0  0  0  0  0
    5.9457    8.1192   -0.6220 C   0  0  0  0  0
    6.8902    7.3818   -1.5255 C   0  0  0  0  0
    5.4087   11.5710    0.5206 O   0  0  0  0  0
    8.7738    3.7355    0.6558 C   0  0  0  0  0
    0.5414    1.8452   -2.7624 H   0  0  0  0  0
    0.5768    2.4147   -1.0844 H   0  0  0  0  0
    0.5104    0.6745   -1.4329 H   0  0  0  0  0
    2.8386    2.5050   -2.2134 H   0  0  0  0  0
    2.7577    0.7735   -2.4710 H   0  0  0  0  0
    2.6934    0.3315   -0.0532 H   0  0  0  0  0
    2.6081    2.0008    0.3555 H   0  0  0  0  0
    4.4130   -0.7358   -0.6752 H   0  0  0  0  0
    5.9002   -0.1660    0.0262 H   0  0  0  0  0
    6.5221    0.8760   -2.2127 H   0  0  0  0  0
    4.9924    0.3309   -2.8774 H   0  0  0  0  0
    7.1801   -1.4993   -1.7605 H   0  0  0  0  0
    6.8274   -1.2144   -3.4734 H   0  0  0  0  0
    5.6405   -2.0456   -2.4545 H   0  0  0  0  0
    7.1686    1.6299    0.1176 H   0  0  0  0  0
    1.1571    5.5133   -0.6017 H   0  0  0  0  0
    1.9901    7.0134   -1.0329 H   0  0  0  0  0
    1.6551    6.6353    0.6725 H   0  0  0  0  0
    3.5258   10.0937    1.5929 H   0  0  0  0  0
    6.9653    9.9931   -0.9594 H   0  0  0  0  0
    6.4001    6.5520   -2.0436 H   0  0  0  0  0
    7.7495    7.0133   -0.9582 H   0  0  0  0  0
    7.2699    8.0458   -2.3115 H   0  0  0  0  0
    6.1858   11.8736    0.0224 H   0  0  0  0  0
    9.1165    2.7012    0.7406 H   0  0  0  0  0
    9.0003    4.2586    1.5897 H   0  0  0  0  0
    9.3114    4.2214   -0.1636 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  2 31  1  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  5 35  1  0  0  0
  6  7  1  0  0  0
  6 36  1  0  0  0
  6 37  1  0  0  0
  7 38  1  0  0  0
  7 39  1  0  0  0
  7 40  1  0  0  0
  8  9  2  0  0  0
  8 16  1  0  0  0
  9 10  1  0  0  0
  9 41  1  0  0  0
 10 11  2  0  0  0
 10 26  1  0  0  0
 11 12  1  0  0  0
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 12 13  2  0  0  0
 13 14  1  0  0  0
 13 18  1  0  0  0
 14 15  2  0  0  0
 14 17  1  0  0  0
 15 16  1  0  0  0
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 17 43  1  0  0  0
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 18 23  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 20 21  2  0  0  0
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 21 22  1  0  0  0
 21 25  1  0  0  0
 22 23  2  0  0  0
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 26 53  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL181860

>  <PubChem CID>
44392739

>  <Formula>
C20H27N5O

>  <Molecular Weight>
353.470000

>  <IUPAC Name>
6-[7-(dipropylamino)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-5-methylpyridin-3-ol

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCN(CCC)C1=CC(=NC2=C(C(=NN12)C)C3=NC=C(C=C3C)O)C

>  <Isomeric SMILES>
CCCN(CCC)C1=CC(=NC2=C(C(=NN12)C)C3=NC=C(C=C3C)O)C

>  <InChI Std. ID>
InChI=1S/C20H27N5O/c1-6-8-24(9-7-2)17-11-14(4)22-20-18(15(5)23-25(17)20)19-13(3)10-16(26)12-21-19/h10-12,26H,6-9H2,1-5H3

>  <InChI Key>
BBACNUQQFCBLCB-UHFFFAOYSA-N

