Ubrogepant

CAS Registry Number®

1374248-77-7

CAS Name

Ubrogepant

Molecular Formula

C29H26F3N5O3

Molecular Mass

549.54

Cite this Page

Ubrogepant.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1374248-77-7 (retrieved 2024-11-21) (CAS RN: 1374248-77-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H26F3N5O3/c1-16-20(17-6-3-2-4-7-17)11-22(26(39)37(16)15-29(30,31)32)35-25(38)19-10-18-12-28(13-23(18)34-14-19)21-8-5-9-33-24(21)36-27(28)40/h2-10,14,16,20,22H,11-13,15H2,1H3,(H,35,38)(H,33,36,40)/t16-,20-,22+,28+/m1/s1

InChIKey

InChIKey=DDOOFTLHJSMHLN-ZQHRPCGSSA-N

SMILES

O=C1[C@@]2(C=3C(N1)=NC=CC3)CC=4C(C2)=NC=C(C(N[C@H]5C[C@H]([C@@H](C)N(CC(F)(F)F)C5=O)C6=CC=CC=C6)=O)C4

Canonical SMILES

O=C(NC1C(=O)N(CC(F)(F)F)C(C)C(C=2C=CC=CC2)C1)C3=CN=C4C(=C3)CC5(C(=O)NC6=NC=CC=C65)C4

Other Names for this Substance

  • Spiro[6H-cyclopenta[b]pyridine-6,3′-[3H]pyrrolo[2,3-b]pyridine]-3-carboxamide, 1′,2′,5,7-tetrahydro-N-[(3S,5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-3-piperidinyl]-2′-oxo-, (3′S)-
  • (3′S)-1′,2′,5,7-Tetrahydro-N-[(3S,5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-3-piperidinyl]-2′-oxospiro[6H-cyclopenta[b]pyridine-6,3′-[3H]pyrrolo[2,3-b]pyridine]-3-carboxamide
  • Ubrogepant
  • Ubrelvy
  • MK 1602

CAS INSIGHTSTM
Targeted protein degrader structure, illustration