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

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H23F4N5O4
Molecular Weight 557.4962
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Limnetrelvir

SMILES

FC1=CC=CC2=C1NC(=O)C=C2C(=O)N[C@@H]3CCN(C3)C4=C(C=C(C=C4C(=O)N5CCOCC5)C#N)C(F)(F)F

InChI

InChIKey=KPYQLMJUGSDJQX-MRXNPFEDSA-N
InChI=1S/C27H23F4N5O4/c28-21-3-1-2-17-18(12-22(37)34-23(17)21)25(38)33-16-4-5-36(14-16)24-19(26(39)35-6-8-40-9-7-35)10-15(13-32)11-20(24)27(29,30)31/h1-3,10-12,16H,4-9,14H2,(H,33,38)(H,34,37)/t16-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
limnetrelvir [INN]
Preferred Name English
Limnetrelvir
INN  
Official Name English
4-Quinolinecarboxamide, N-[(3R)-1-[4-cyano-2-(4-morpholinylcarbonyl)-6-(trifluoromethyl)phenyl]-3-pyrrolidinyl]-8-fluoro-1,2-dihydro-2-oxo-
Systematic Name English
N-{(3R)-1-[4-cyano-2-(morpholine-4-carbonyl)-6-(trifluoromethyl)phenyl]pyrrolidin-3-yl}-8-fluoro-2-oxo-1,2-dihydroquinoline-4-carboxamide
Systematic Name English
Code System Code Type Description
INN
13293
Created by admin on Wed Apr 02 15:39:10 GMT 2025 , Edited by admin on Wed Apr 02 15:39:10 GMT 2025
PRIMARY
SMS_ID
300000049473
Created by admin on Wed Apr 02 15:39:10 GMT 2025 , Edited by admin on Wed Apr 02 15:39:10 GMT 2025
PRIMARY
NCI_THESAURUS
C206930
Created by admin on Wed Apr 02 15:39:10 GMT 2025 , Edited by admin on Wed Apr 02 15:39:10 GMT 2025
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FDA UNII
4TPS988XGG
Created by admin on Wed Apr 02 15:39:10 GMT 2025 , Edited by admin on Wed Apr 02 15:39:10 GMT 2025
PRIMARY
PUBCHEM
171390021
Created by admin on Wed Apr 02 15:39:10 GMT 2025 , Edited by admin on Wed Apr 02 15:39:10 GMT 2025
PRIMARY
CAS
2923500-04-1
Created by admin on Wed Apr 02 15:39:10 GMT 2025 , Edited by admin on Wed Apr 02 15:39:10 GMT 2025
PRIMARY