
 CHEMBL407818

 43 46  0  0  0  0  0  0  0  0999 V2000
    0.6920    1.1222   -0.2691 C   0  0  0  0  0
   -0.8546    1.0754   -0.3048 C   0  0  0  0  0
   -1.3376   -0.1546   -0.9768 N   0  0  0  0  0
   -0.6974   -1.3947   -0.5018 C   0  0  0  0  0
    0.8448   -1.2504   -0.5167 C   0  0  0  0  0
    1.3650   -0.0929    0.2564 N   0  0  0  0  0
    1.1502   -0.3023    1.6987 C   0  0  0  0  0
    1.7637    0.7913    2.5018 C   0  0  0  0  0
    1.1438    1.7018    3.3361 C   0  0  0  0  0
   -0.2043    1.9471    3.7346 C   0  0  0  0  0
   -0.4770    2.9641    4.5751 C   0  0  0  0  0
    0.5742    3.8301    5.0839 C   0  0  0  0  0
    1.8432    3.5925    4.7174 C   0  0  0  0  0
    2.1404    2.5343    3.8547 N   0  0  0  0  0
    3.3660    2.1591    3.4114 N   0  0  0  0  0
    3.1313    1.1220    2.6066 C   0  0  0  0  0
   -2.7311   -0.1750   -1.1469 C   0  0  0  0  0
   -3.5916   -1.0001   -0.4082 C   0  0  0  0  0
   -4.9729   -0.9921   -0.6333 C   0  0  0  0  0
   -5.5084   -0.1648   -1.6088 C   0  0  0  0  0
   -4.6851    0.6659   -2.3568 C   0  0  0  0  0
   -3.3075    0.6607   -2.1182 C   0  0  0  0  0
   -6.8558   -0.1993   -1.8040 O   0  0  0  0  0
    1.0523    1.2729   -1.2953 H   0  0  0  0  0
    1.0181    2.0170    0.2739 H   0  0  0  0  0
   -1.2030    1.9691   -0.8384 H   0  0  0  0  0
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   -0.9728   -2.2282   -1.1599 H   0  0  0  0  0
    1.3040   -2.1784   -0.1565 H   0  0  0  0  0
    1.1757   -1.1396   -1.5568 H   0  0  0  0  0
    1.6307   -1.2419    2.0015 H   0  0  0  0  0
    0.0892   -0.4000    1.9514 H   0  0  0  0  0
   -1.0030    1.3102    3.3674 H   0  0  0  0  0
   -1.4937    3.1610    4.8964 H   0  0  0  0  0
    0.3119    4.6438    5.7519 H   0  0  0  0  0
    2.6862    4.1824    5.0509 H   0  0  0  0  0
    3.9703    0.6412    2.1163 H   0  0  0  0  0
   -3.2132   -1.6542    0.3703 H   0  0  0  0  0
   -5.6241   -1.6353   -0.0490 H   0  0  0  0  0
   -5.0867    1.3129   -3.1308 H   0  0  0  0  0
   -2.6652    1.2965   -2.7238 H   0  0  0  0  0
   -7.0781    0.4070   -2.5296 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  2 27  1  0  0  0
  3  4  1  0  0  0
  3 17  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  4 29  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  5 31  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 32  1  0  0  0
  7 33  1  0  0  0
  8 16  1  0  0  0
  8  9  2  0  0  0
  9 14  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 34  1  0  0  0
 11 12  1  0  0  0
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 12 13  2  0  0  0
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 13 37  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 16 38  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 39  1  0  0  0
 19 20  2  0  0  0
 19 40  1  0  0  0
 20 21  1  0  0  0
 20 23  1  0  0  0
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 23 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL407818

>  <PubChem CID>
24824066

>  <Formula>
C18H20N4O

>  <Molecular Weight>
308.385000

>  <IUPAC Name>
4-[4-(pyrazolo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]phenol

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C18H20N4O/c23-17-6-4-16(5-7-17)21-11-9-20(10-12-21)14-15-13-19-22-8-2-1-3-18(15)22/h1-8,13,23H,9-12,14H2

>  <InChI Key>
GDEQPGACTRNZFK-UHFFFAOYSA-N

