
 CHEMBL3675729

 76 79  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3675729

>  <PubChem CID>
68378975

>  <Formula>
C29H39N5O3

>  <Molecular Weight>
505.663000

>  <IUPAC Name>
tert-butyl 4-[3-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]propanoyl]piperazine-1-carboxylate

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCC1=NN2C(=CC(=NC2=C1CC3=CC=C(C=C3)CCC(=O)N4CCN(CC4)C(=O)OC(C)(C)C)C)C

>  <Isomeric SMILES>
CCC1=NN2C(=CC(=NC2=C1CC3=CC=C(C=C3)CCC(=O)N4CCN(CC4)C(=O)OC(C)(C)C)C)C

>  <InChI Std. ID>
InChI=1S/C29H39N5O3/c1-7-25-24(27-30-20(2)18-21(3)34(27)31-25)19-23-10-8-22(9-11-23)12-13-26(35)32-14-16-33(17-15-32)28(36)37-29(4,5)6/h8-11,18H,7,12-17,19H2,1-6H3

>  <InChI Key>
ZIKJVMYFESMGDP-UHFFFAOYSA-N

