
 CHEMBL2397392

 58 60  0  0  0  0  0  0  0  0999 V2000
    5.5032    4.3787   -1.1717 C   0  0  0  0  0
    4.9063    2.9803   -1.2619 C   0  0  0  0  0
    4.9117    2.2860    0.1107 C   0  0  0  0  0
    4.2632    0.9532    0.1574 N   0  0  0  0  0
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    4.1810   -1.3431   -0.9593 C   0  0  0  0  0
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    6.0238   -4.9882   -3.0471 C   0  0  0  0  0
    6.4999   -5.0984   -1.9218 O   0  0  0  0  0
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    8.3295   -8.2665   -5.9062 C   0  0  0  0  0
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    4.2577    0.3639    1.5302 C   0  0  0  0  0
    3.5418    1.2597    2.5640 C   0  0  0  0  0
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    5.0601   -0.4218    6.9696 C   0  0  0  0  0
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    4.9239    5.0125   -0.4934 H   0  0  0  0  0
    5.5034    2.4178   -1.9872 H   0  0  0  0  0
    3.8825    3.0455   -1.6475 H   0  0  0  0  0
    4.3851    2.9623    0.7918 H   0  0  0  0  0
    5.9501    2.2231    0.4542 H   0  0  0  0  0
    5.9095   -0.0591   -0.7225 H   0  0  0  0  0
    4.6763    0.4994   -1.8490 H   0  0  0  0  0
    3.0987   -1.2451   -1.1067 H   0  0  0  0  0
    4.3410   -1.9162   -0.0403 H   0  0  0  0  0
    5.8826   -2.1865   -1.9830 H   0  0  0  0  0
    4.6444   -1.5636   -3.0643 H   0  0  0  0  0
    3.1472   -3.4568   -2.5462 H   0  0  0  0  0
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    4.4954   -4.2441   -4.2403 H   0  0  0  0  0
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    3.6325   -0.5379    1.4809 H   0  0  0  0  0
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    4.1029    2.1863    2.7344 H   0  0  0  0  0
    2.6539   -0.2600    3.8269 H   0  0  0  0  0
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    6.4086    0.6803    1.8463 H   0  0  0  0  0
    5.9613   -0.9931    1.5549 H   0  0  0  0  0
    5.2229   -0.5487    8.0134 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  2 33  1  0  0  0
  3  4  1  0  0  0
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  4 21  1  0  0  0
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  6 38  1  0  0  0
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  7  8  1  0  0  0
  7 40  1  0  0  0
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  8  9  1  0  0  0
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  9 10  1  0  0  0
  9 44  1  0  0  0
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 28 58  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2397392

>  <PubChem CID>
71734029

>  <Formula>
C23H30N4O

>  <Molecular Weight>
378.520000

>  <IUPAC Name>
N-[4-[[(1R)-4-ethynylcyclohex-3-en-1-yl]-propylamino]butyl]pyrazolo[1,5-a]pyridine-3-carboxamide

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCN(CCCCNC(=O)C1=C2C=CC=CN2N=C1)C3CCC(=CC3)C#C

>  <Isomeric SMILES>
CCCN(CCCCNC(=O)C1=C2C=CC=CN2N=C1)[C@@H]3CCC(=CC3)C#C

>  <InChI Std. ID>
InChI=1S/C23H30N4O/c1-3-15-26(20-12-10-19(4-2)11-13-20)16-8-6-14-24-23(28)21-18-25-27-17-7-5-9-22(21)27/h2,5,7,9-10,17-18,20H,3,6,8,11-16H2,1H3,(H,24,28)/t20-/m0/s1

>  <InChI Key>
IDKIRFAIRCIGSS-FQEVSTJZSA-N

