6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7-one;2-hydroxyethanesulfonic acid

6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7-one;2-hydroxyethanesulfonic acid

CAS

827022-33-3

PubChem CID

91885220

SMILES

CC1=C(C(=O)N(C2=NC(=NC(=C12)C(CS(=O)(=O)O)O)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C

Molecular Formula

C26H33N7O6S

Molecular Weight

571.66

Exact Mass

571.2213

InChI

InChI=1S/C26H33N7O6S/c1-15-21(16(2)34)25(36)33(17-5-3-4-6-17)24-22(15)23(19(35)14-40(37,38)39)30-26(31-24)29-20-8-7-18(13-28-20)32-11-9-27-10-12-32/h7-8,13,17,19,27,35H,3-6,9-12,14H2,1-2H3,(H,37,38,39)(H,28,29,30,31)

InChIKey

WHXMZEXTNAHIRW-UHFFFAOYSA-N

LogP

1.887

TPSA

179.64