| Identification | Back Directory | [Name]
Ubrogepant Intermediate | [CAS]
1375541-21-1 | [Synonyms]
Ubrogepant Intermediate
(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-carboxylic acid
(S)-2'-oxo-1',2',5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-3-carboxylic acid
(3'S)-1',2',5,7-Tetrahydro-2'-oxospiro[6H-cyclopenta[b]pyridine-6,3'-[3H]pyrrolo[2,3-b]pyridine]-3-carboxylic acid
Spiro[6H-cyclopenta[b]pyridine-6,3'-[3H]pyrrolo[2,3-b]pyridine]-3-carboxylic acid, 1',2',5,7-tetrahydro-2'-oxo-, (3'S)- | [Molecular Formula]
C15H11N3O3 | [MDL Number]
MFCD27987764 | [MOL File]
1375541-21-1.mol | [Molecular Weight]
281.27 |
| Chemical Properties | Back Directory | [Boiling point ]
566.1±50.0 °C(Predicted) | [density ]
1.57±0.1 g/cm3(Predicted) | [pka]
2.36±0.20(Predicted) | [InChI]
InChI=1S/C15H11N3O3/c19-13(20)9-4-8-5-15(6-11(8)17-7-9)10-2-1-3-16-12(10)18-14(15)21/h1-4,7H,5-6H2,(H,19,20)(H,16,18,21)/t15-/m0/s1 | [InChIKey]
JZRARRAPRCNVSS-HNNXBMFYSA-N | [SMILES]
C12C[C@@]3(C(=O)NC4=NC=CC=C43)CC1=CC(C(O)=O)=CN=2 |
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