trans-4-​[2-​[9-​[(4-​Chloro-​2-​fluorophenyl)​methyl]​-​5,​6,​8,​9-​tetrahydro-​7H-​pyrrolo[2,​3-​b:5,​4-​c']​dipyridin-​7-​yl]​-​2-​oxoethyl]cyclohexanecarboxylic Acid

Analyte Name

trans-4-[2-[9-[(4-Chloro-2-fluorophenyl)methyl]-5,6,8,9-tetrahydro-7H-pyrrolo[2,3-b:5,4-c']dipyridin-7-yl]-2-oxoethyl]cyclohexanecarboxylic Acid

CAS Number

1354804-04-8

Molecular Formula

C26 H27 Cl F N3 O3

Molecular Weight

483.962

Accurate Mass

483.172

SMILES

OC(=O)[C@@H]1CC[C@@H](CC(=O)N2CCc3c(C2)n(Cc4ccc(Cl)cc4F)c5ncccc35)CC1

InChI

InChI=1S/C26H27ClFN3O3/c27-19-8-7-18(22(28)13-19)14-31-23-15-30(11-9-20(23)21-2-1-10-29-25(21)31)24(32)12-16-3-5-17(6-4-16)26(33)34/h1-2,7-8,10,13,16-17H,3-6,9,11-12,14-15H2,(H,33,34)/t16-,17-

IUPAC

4-[2-[8-[(4-chloro-2-fluorophenyl)methyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraen-5-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat