U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H13N3O3
Molecular Weight 295.2927
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl (S)-2?-oxo-1?,2?,5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3?-pyrrolo[2,3-b]pyridine]-3-carboxylate

SMILES

COC(=O)C1=CN=C2C[C@]3(CC2=C1)C(=O)NC4=C3C=CC=N4

InChI

InChIKey=LLOWLZAUXBCVTQ-INIZCTEOSA-N
InChI=1S/C16H13N3O3/c1-22-14(20)10-5-9-6-16(7-12(9)18-8-10)11-3-2-4-17-13(11)19-15(16)21/h2-5,8H,6-7H2,1H3,(H,17,19,21)/t16-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Methyl (S)-2?-oxo-1?,2?,5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3?-pyrrolo[2,3-b]pyridine]-3-carboxylate
Systematic Name English
Methyl (3?S)-1?,2?,5,7-tetrahydro-2?-oxospiro[6H-cyclopenta[b]pyridine-6,3?-[3H]pyrrolo[2,3-b]pyridine]-3-carboxylate
Preferred Name English
Spiro[6H-cyclopenta[b]pyridine-6,3?-[3H]pyrrolo[2,3-b]pyridine]-3-carboxylic acid, 1?,2?,5,7-tetrahydro-2?-oxo-, methyl ester, (3?S)-
Systematic Name English
Code System Code Type Description
FDA UNII
BRT3QRQ73F
Created by admin on Wed Apr 02 21:13:55 GMT 2025 , Edited by admin on Wed Apr 02 21:13:55 GMT 2025
PRIMARY
PUBCHEM
69098169
Created by admin on Wed Apr 02 21:13:55 GMT 2025 , Edited by admin on Wed Apr 02 21:13:55 GMT 2025
PRIMARY
CAS
1375541-24-4
Created by admin on Wed Apr 02 21:13:55 GMT 2025 , Edited by admin on Wed Apr 02 21:13:55 GMT 2025
PRIMARY