
 CHEMBL160396

 46 49  0  0  0  0  0  0  0  0999 V2000
    0.5302    1.1485   -0.2767 C   0  0  0  0  0
   -1.0013    1.0669   -0.5178 C   0  0  0  0  0
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   -0.7205   -1.3751   -0.9101 C   0  0  0  0  0
    0.7970   -1.1786   -0.7249 C   0  0  0  0  0
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    0.7381   -0.3654    1.6091 C   0  0  0  0  0
    1.4188   -1.5554    2.2043 C   0  0  0  0  0
    0.9602   -2.4335    3.1790 C   0  0  0  0  0
   -0.2403   -2.5554    3.9851 C   0  0  0  0  0
   -0.3141   -3.6067    4.8401 C   0  0  0  0  0
    0.7276   -4.6037    4.9679 C   0  0  0  0  0
    1.8386   -4.4671    4.2308 C   0  0  0  0  0
    1.9676   -3.3955    3.3528 N   0  0  0  0  0
    3.0482   -3.1261    2.5819 N   0  0  0  0  0
    2.7203   -2.0234    1.9151 C   0  0  0  0  0
   -1.3895   -1.5715    3.9982 C   0  0  0  0  0
   -2.2534   -1.8438    2.9029 O   0  0  0  0  0
   -2.7494   -0.1822   -1.5791 C   0  0  0  0  0
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   -4.6727    0.6400   -2.8410 C   0  0  0  0  0
   -5.5053   -0.2437   -2.1627 C   0  0  0  0  0
   -4.9826   -1.0911   -1.1925 C   0  0  0  0  0
   -3.6140   -1.0585   -0.9052 C   0  0  0  0  0
   -7.1869   -0.2900   -2.5221 Cl  0  0  0  0  0
    1.0163    1.4170   -1.2245 H   0  0  0  0  0
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    3.4338   -1.6040    1.2158 H   0  0  0  0  0
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   -3.1169   -1.4566    3.1256 H   0  0  0  0  0
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   -5.6266   -1.7812   -0.6551 H   0  0  0  0  0
   -3.2473   -1.7243   -0.1292 H   0  0  0  0  0
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  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
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  7 35  1  0  0  0
  8 16  1  0  0  0
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  9 14  1  0  0  0
  9 10  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL160396

>  <PubChem CID>
44372312

>  <Formula>
C19H21ClN4O

>  <Molecular Weight>
356.854000

>  <IUPAC Name>
[3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-4-yl]methanol

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCN1CC2=C3C(=CC=CN3N=C2)CO)C4=CC=C(C=C4)Cl

>  <Isomeric SMILES>
C1CN(CCN1CC2=C3C(=CC=CN3N=C2)CO)C4=CC=C(C=C4)Cl

>  <InChI Std. ID>
InChI=1S/C19H21ClN4O/c20-17-3-5-18(6-4-17)23-10-8-22(9-11-23)13-16-12-21-24-7-1-2-15(14-25)19(16)24/h1-7,12,25H,8-11,13-14H2

>  <InChI Key>
AYTNWERJAAXIPL-UHFFFAOYSA-N

