4-ethyl-N-{3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl}-3-(2-{pyrazolo[1,5-a]pyrimidin-6-yl}ethynyl)benzamide

CAS: 1429617-90-2

Formula: C30H29F3N6O

SMILES: CCC1=C(C=C(C=C1)C(=O)NC1=CC(CN2CCN(C)CC2)=CC(=C1)C(F)(F)F)C#CC1=CN2N=CC=C2N=C1

IUPAC: 4-ethyl-N-{3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl}-3-(2-{pyrazolo[1,5-a]pyrimidin-6-yl}ethynyl)benzamide

InChI: InChI=1S/C30H29F3N6O/c1-3-23-6-7-25(16-24(23)5-4-21-18-34-28-8-9-35-39(28)20-21)29(40)36-27-15-22(14-26(17-27)30(31,32)33)19-38-12-10-37(2)11-13-38/h6-9,14-18,20H,3,10-13,19H2,1-2H3,(H,36,40)

Composition: C (65.92%), H (5.35%), F (10.43%), N (15.38%), O (2.93%)

Molar Mass: 546.598

Atom Count: 69

Heavy Atom Count: 40