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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H16F6N2O4S
Molecular Weight 482.397
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of [5,7-Dihydro-3-(trifluoromethyl)-6H-pyrrolo[3,4-b]pyridin-6-yl][5-(methylsulfonyl)-2-[(1R)-2,2,2-trifluoro-1-methylethoxy]phenyl]methanone

SMILES

C[C@@H](OC1=C(C=C(C=C1)S(C)(=O)=O)C(=O)N2CC3=C(C2)N=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChIKey=DSFRGIKAQFSVOE-SNVBAGLBSA-N
InChI=1S/C19H16F6N2O4S/c1-10(18(20,21)22)31-16-4-3-13(32(2,29)30)6-14(16)17(28)27-8-11-5-12(19(23,24)25)7-26-15(11)9-27/h3-7,10H,8-9H2,1-2H3/t10-/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H16F6N2O4S
Molecular Weight 482.397
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 Wed Apr 02 19:44:01 GMT 2025
Edited
by admin
on Wed Apr 02 19:44:01 GMT 2025
Record UNII
Z9D6V2SCD5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
[5,7-Dihydro-3-(trifluoromethyl)-6H-pyrrolo[3,4-b]pyridin-6-yl][5-(methylsulfonyl)-2-[(1R)-2,2,2-trifluoro-1-methylethoxy]phenyl]methanone
Systematic Name English
5H-Pyrrolo[3,4-b]pyridine, 6,7-dihydro-6-[5-(methylsulfonyl)-2-[(1R)-2,2,2-trifluoro-1-methylethoxy]benzoyl]-3-(trifluoromethyl)-
Preferred Name English
Methanone, [5,7-dihydro-3-(trifluoromethyl)-6H-pyrrolo[3,4-b]pyridin-6-yl][5-(methylsulfonyl)-2-[(1R)-2,2,2-trifluoro-1-methylethoxy]phenyl]-
Systematic Name English
Code System Code Type Description
CAS
905270-77-1
Created by admin on Wed Apr 02 19:44:01 GMT 2025 , Edited by admin on Wed Apr 02 19:44:01 GMT 2025
PRIMARY
PUBCHEM
11634399
Created by admin on Wed Apr 02 19:44:01 GMT 2025 , Edited by admin on Wed Apr 02 19:44:01 GMT 2025
PRIMARY
FDA UNII
Z9D6V2SCD5
Created by admin on Wed Apr 02 19:44:01 GMT 2025 , Edited by admin on Wed Apr 02 19:44:01 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> ENANTIOMER