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

Details

Stereochemistry RACEMIC
Molecular Formula C29H30F5N5O2
Molecular Weight 575.5728
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-[(4,4-Difluoro-3-methyl-1-piperidinyl)methyl]-2,3-dihydro-2-[3-[3-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]-3-oxetanyl]phenyl]-4-(trifluoromethyl)-1H-isoindol-1-one

SMILES

CC1CN(CC2=CC(=C3CN(C(=O)C3=C2)C4=CC(=CC=C4)C6(CC5=NN=CN5C)COC6)C(F)(F)F)CCC1(F)F

InChI

InChIKey=YQALLLNHBDHXFZ-UHFFFAOYSA-N
InChI=1S/C29H30F5N5O2/c1-18-12-38(7-6-28(18,30)31)13-19-8-22-23(24(9-19)29(32,33)34)14-39(26(22)40)21-5-3-4-20(10-21)27(15-41-16-27)11-25-36-35-17-37(25)2/h3-5,8-10,17-18H,6-7,11-16H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C29H30F5N5O2
Molecular Weight 575.5728
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:08:07 GMT 2025
Edited
by admin
on Wed Apr 02 19:08:07 GMT 2025
Record UNII
UYX8XTF8LV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-[(4,4-Difluoro-3-methyl-1-piperidinyl)methyl]-2,3-dihydro-2-[3-[3-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]-3-oxetanyl]phenyl]-4-(trifluoromethyl)-1H-isoindol-1-one
Systematic Name English
1H-Isoindol-1-one, 6-[(4,4-difluoro-3-methyl-1-piperidinyl)methyl]-2,3-dihydro-2-[3-[3-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]-3-oxetanyl]phenyl]-4-(trifluoromethyl)-
Preferred Name English
Code System Code Type Description
PUBCHEM
155190642
Created by admin on Wed Apr 02 19:08:07 GMT 2025 , Edited by admin on Wed Apr 02 19:08:07 GMT 2025
PRIMARY
FDA UNII
UYX8XTF8LV
Created by admin on Wed Apr 02 19:08:07 GMT 2025 , Edited by admin on Wed Apr 02 19:08:07 GMT 2025
PRIMARY
CAS
2503325-95-7
Created by admin on Wed Apr 02 19:08:07 GMT 2025 , Edited by admin on Wed Apr 02 19:08:07 GMT 2025
PRIMARY