
 CHEMBL3675740

 63 67  0  0  0  0  0  0  0  0999 V2000
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    1.2437    4.7376    5.4434 H   0  0  0  0  0
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    0.8236    5.9336    4.2036 H   0  0  0  0  0
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    0.0883   -5.4049    0.6734 H   0  0  0  0  0
    0.4634   -7.0404    0.2358 H   0  0  0  0  0
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    0.8499   -5.8254    3.0319 H   0  0  0  0  0
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  1  2  1  0  0  0
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  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  1  0  0  0
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  2 37  1  0  0  0
  3  4  2  0  0  0
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  4  5  1  0  0  0
  5  6  1  0  0  0
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  6  7  2  0  0  0
  6 32  1  0  0  0
  7  8  1  0  0  0
  7 38  1  0  0  0
  8  9  2  0  0  0
  8 31  1  0  0  0
  9 10  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3675740

>  <PubChem CID>
68379041

>  <Formula>
C25H31N7

>  <Molecular Weight>
429.572000

>  <IUPAC Name>
2-ethyl-5,7-dimethyl-3-[[4-[4-(piperazin-1-ylmethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyrimidine

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCC1=NN2C(=CC(=NC2=C1CC3=CC=C(C=C3)N4C=C(C=N4)CN5CCNCC5)C)C

>  <Isomeric SMILES>
CCC1=NN2C(=CC(=NC2=C1CC3=CC=C(C=C3)N4C=C(C=N4)CN5CCNCC5)C)C

>  <InChI Std. ID>
InChI=1S/C25H31N7/c1-4-24-23(25-28-18(2)13-19(3)32(25)29-24)14-20-5-7-22(8-6-20)31-17-21(15-27-31)16-30-11-9-26-10-12-30/h5-8,13,15,17,26H,4,9-12,14,16H2,1-3H3

>  <InChI Key>
VHXUBUZJOSUAFP-UHFFFAOYSA-N

