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

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H17FN4O3
Molecular Weight 332.3296
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PD-131628

SMILES

N[C@H]1CCN(C1)C2=NC3=C(C=C2F)C(=O)C(=CN3C4CC4)C(O)=O

InChI

InChIKey=MUKSDTOOLRNSIO-QMMMGPOBSA-N
InChI=1S/C16H17FN4O3/c17-12-5-10-13(22)11(16(23)24)7-21(9-1-2-9)14(10)19-15(12)20-4-3-8(18)6-20/h5,7-9H,1-4,6,18H2,(H,23,24)/t8-/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H17FN4O3
Molecular Weight 332.3296
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:25:32 GMT 2025
Edited
by admin
on Mon Mar 31 18:25:32 GMT 2025
Record UNII
YS492L6CHP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACID, 7-((3S)-3-AMINO-1-PYRROLIDINYL)-1-CYCLOPROPYL-6-FLUORO-1,4-DIHYDRO-4-OXO-
Preferred Name English
PD-131628
Code English
7-((3S)-3-AMINO-1-PYRROLIDINYL)-1-CYCLOPROPYL-6-FLUORO-1,4-DIHYDRO-4-OXO-1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
72448
Created by admin on Mon Mar 31 18:25:32 GMT 2025 , Edited by admin on Mon Mar 31 18:25:32 GMT 2025
PRIMARY
EPA CompTox
DTXSID9074486
Created by admin on Mon Mar 31 18:25:32 GMT 2025 , Edited by admin on Mon Mar 31 18:25:32 GMT 2025
PRIMARY
CAS
127967-03-7
Created by admin on Mon Mar 31 18:25:32 GMT 2025 , Edited by admin on Mon Mar 31 18:25:32 GMT 2025
PRIMARY
FDA UNII
YS492L6CHP
Created by admin on Mon Mar 31 18:25:32 GMT 2025 , Edited by admin on Mon Mar 31 18:25:32 GMT 2025
PRIMARY