
 N-[7-(4-fluoro-2-methylphenylamino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidin-3-ylsulfonyl]cyclopropanecarboxamide

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M  END

>  <Chemical Name>
N-[7-(4-fluoro-2-methylphenylamino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidin-3-ylsulfonyl]cyclopropanecarboxamide

>  <PubChem CID>
71178944

>  <Formula>
C29H29FN6O4S

>  <Molecular Weight>
576.647000

>  <IUPAC Name>
N-[7-(4-fluoro-2-methylanilino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidin-3-yl]sulfonylcyclopropanecarboxamide

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1=C(C=CC(=C1)F)NC2=C(C=NC3=C(C=NN32)S(=O)(=O)NC(=O)C4CC4)C(=O)N5CCC(CC5)C6=CC=CC=C6

>  <Isomeric SMILES>
CC1=C(C=CC(=C1)F)NC2=C(C=NC3=C(C=NN32)S(=O)(=O)NC(=O)C4CC4)C(=O)N5CCC(CC5)C6=CC=CC=C6

>  <InChI Std. ID>
InChI=1S/C29H29FN6O4S/c1-18-15-22(30)9-10-24(18)33-26-23(29(38)35-13-11-20(12-14-35)19-5-3-2-4-6-19)16-31-27-25(17-32-36(26)27)41(39,40)34-28(37)21-7-8-21/h2-6,9-10,15-17,20-21,33H,7-8,11-14H2,1H3,(H,34,37)

>  <InChI Key>
MZKOCHHGOLQGKS-UHFFFAOYSA-N

