
 CHEMBL3639746

 71 74  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3639746

>  <PubChem CID>
86766090

>  <Formula>
C27H39N5

>  <Molecular Weight>
433.644000

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

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCC1=NN2C(=CC(=NC2=C1CC3=CC=C(C=C3)CCCN4CCN(CC4)C(C)C)C)C

>  <Isomeric SMILES>
CCC1=NN2C(=CC(=NC2=C1CC3=CC=C(C=C3)CCCN4CCN(CC4)C(C)C)C)C

>  <InChI Std. ID>
InChI=1S/C27H39N5/c1-6-26-25(27-28-21(4)18-22(5)32(27)29-26)19-24-11-9-23(10-12-24)8-7-13-30-14-16-31(17-15-30)20(2)3/h9-12,18,20H,6-8,13-17,19H2,1-5H3

>  <InChI Key>
DFFKMCAWTADECS-UHFFFAOYSA-N

