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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H11N3O3
Molecular Weight 281.2661
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2'-Oxo-1',2',5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-3-carboxylic acid, (S)-

SMILES

OC(=O)C1=CC2=C(C[C@]3(C2)C(=O)NC4=NC=CC=C34)N=C1

InChI

InChIKey=JZRARRAPRCNVSS-HNNXBMFYSA-N
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

HIDE SMILES / InChI

Approval Year

Name Type Language
2'-Oxo-1',2',5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-3-carboxylic acid, (S)-
Systematic Name English
(S)-2'-Oxo-1',2',5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-3-carboxylic acid
Preferred Name English
(3?S)-1?,2?,5,7-Tetrahydro-2?-oxospiro[6H-cyclopenta[b]pyridine-6,3?-[3H]pyrrolo[2,3-b]pyridine]-3-carboxylic acid
Systematic Name English
Ubrogepant Intermediate
Common Name English
(3S)-2-Oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6?-5,7-dihydrocyclopenta[b]pyridine]-3?-carboxylic acid
Systematic Name English
Code System Code Type Description
CAS
1375541-21-1
Created by admin on Wed Apr 02 17:52:24 GMT 2025 , Edited by admin on Wed Apr 02 17:52:24 GMT 2025
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PUBCHEM
68746980
Created by admin on Wed Apr 02 17:52:24 GMT 2025 , Edited by admin on Wed Apr 02 17:52:24 GMT 2025
PRIMARY
FDA UNII
VFK55SR7D7
Created by admin on Wed Apr 02 17:52:24 GMT 2025 , Edited by admin on Wed Apr 02 17:52:24 GMT 2025
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