Analyte Name

4-(2-Oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-oxo Rimegepant

Molecular Formula

C40H40F2N10O5

Molecular Weight

778.82

Accurate Mass

778.32

SMILES

O=C1N(C2CCN(CC2)C(N[C@H]3[C@@H](CC[C@@H](OC(N4CCC(N5C6=CC=CN=C6NC5=O)CC4)=O)C7=NC=CC=C37)C8=C(F)C(F)=CC=C8)=O)C9=CC=CN=C9N1

InChI

InChI=1S/C40H40F2N10O5/c41-28-7-1-5-25(32(28)42)26-10-11-31(57-40(56)50-21-14-24(15-22-50)52-30-9-4-18-45-36(30)48-39(52)55)34-27(6-2-16-43-34)33(26)46-37(53)49-19-12-23(13-20-49)51-29-8-3-17-44-35(29)47-38(51)54/h1-9,16-18,23-24,26,31,33H,10-15,19-22H2,(H,46,53)(H,44,47,54)(H,45,48,55)/t26-,31+,33-/m0/s1

IUPAC

(5S,6S,9R)-6-(2,3-difluorophenyl)-5-(4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamido)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl 4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate

Country of Origin

CANADA

Product Format

Neat