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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H22F6N6O2
Molecular Weight 540.4609
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2S)-2-[[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]-2-phenylacetamide

SMILES

NC(=O)[C@@H](N[C@@H](CC(=O)N1CCN2C(C1)=NN=C2C(F)(F)F)CC3=CC(F)=C(F)C=C3F)C4=CC=CC=C4

InChI

InChIKey=DQIPFFHYFVHRIT-VFNWGFHPSA-N
InChI=1S/C24H22F6N6O2/c25-16-11-18(27)17(26)9-14(16)8-15(32-21(22(31)38)13-4-2-1-3-5-13)10-20(37)35-6-7-36-19(12-35)33-34-23(36)24(28,29)30/h1-5,9,11,15,21,32H,6-8,10,12H2,(H2,31,38)/t15-,21+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(2S)-2-[[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]-2-phenylacetamide
Systematic Name English
(?S)-?-[[(1R)-3-[5,6-Dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-3-oxo-1-[(2,4,5-trifluorophenyl)methyl]propyl]amino]benzeneacetamide
Preferred Name English
Benzeneacetamide, ?-[[(1R)-3-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-3-oxo-1-[(2,4,5-trifluorophenyl)methyl]propyl]amino]-, (?S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
58420444
Created by admin on Wed Apr 02 19:41:49 GMT 2025 , Edited by admin on Wed Apr 02 19:41:49 GMT 2025
PRIMARY
FDA UNII
584F9M8SPG
Created by admin on Wed Apr 02 19:41:49 GMT 2025 , Edited by admin on Wed Apr 02 19:41:49 GMT 2025
PRIMARY
CAS
769195-20-2
Created by admin on Wed Apr 02 19:41:49 GMT 2025 , Edited by admin on Wed Apr 02 19:41:49 GMT 2025
PRIMARY