Analyte Name

Ivosidenib Isonicotinamide

CAS Number

2408269-64-5

Molecular Formula

C28 H24 Cl F3 N6 O4

Molecular Weight

600.976

Accurate Mass

600.15

SMILES

NC(=O)c1ccnc(c1)N2[C@@H](CCC2=O)C(=O)N([C@H](C(=O)NC3CC(F)(F)C3)c4ccccc4Cl)c5cncc(F)c5

InChI

InChI=1S/C28H24ClF3N6O4/c29-20-4-2-1-3-19(20)24(26(41)36-17-11-28(31,32)12-17)37(18-10-16(30)13-34-14-18)27(42)21-5-6-23(39)38(21)22-9-15(25(33)40)7-8-35-22/h1-4,7-10,13-14,17,21,24H,5-6,11-12H2,(H2,33,40)(H,36,41)/t21-,24-/m0/s1

IUPAC

2-[(2S)-2-[[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-(5-fluoropyridin-3-yl)carbamoyl]-5-oxopyrrolidin-1-yl]pyridine-4-carboxamide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat