Molecular Weight (g/mol)

679.6

Molecular Formula

C32H28F3N7O7

InChI

InChI=1S/C28H22F3N7O.C4H6O6/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38;5-1(3(7)8)2(6)4(9)10/h3-16H,1-2H3,(H,35,39)(H,33,36,37);1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.0/s1

InChIKey

VYHSBWCAZKXUPP-WUUYCOTASA-N

SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5.[C@H]([C@@H](C(=O)O)O)(C(=O)O)O

IUPAC Name

(2S,3S)-2,3-dihydroxybutanedioic acid;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide

Exact Mass (Da)

679.20023074

Monoisotopic Mass (Da)

679.20023074