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

Details

Stereochemistry ACHIRAL
Molecular Formula C22H27N7O4S
Molecular Weight 485.559
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of [4-[1-[3-(Cyanomethyl)-1-(ethylsulfonyl)azetidin-3-yl]-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl pivalate

SMILES

CCS(=O)(=O)N1CC(CC#N)(C1)N2C=C(C=N2)C3=NC=NC4=C3C=CN4COC(=O)C(C)(C)C

InChI

InChIKey=WENIISNHSRPUOW-UHFFFAOYSA-N
InChI=1S/C22H27N7O4S/c1-5-34(31,32)28-12-22(13-28,7-8-23)29-11-16(10-26-29)18-17-6-9-27(19(17)25-14-24-18)15-33-20(30)21(2,3)4/h6,9-11,14H,5,7,12-13,15H2,1-4H3

HIDE SMILES / InChI

Approval Year

Name Type Language
[4-[1-[3-(Cyanomethyl)-1-(ethylsulfonyl)azetidin-3-yl]-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl pivalate
Systematic Name English
Baricitinib methyl pivalate
Common Name English
Propanoic acid, 2,2-dimethyl-, [4-[1-[3-(cyanomethyl)-1-(ethylsulfonyl)-3-azetidinyl]-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl ester
Systematic Name English
Code System Code Type Description
FDA UNII
C9687ZH9QL
Created by admin on Sat Dec 16 19:12:25 GMT 2023 , Edited by admin on Sat Dec 16 19:12:25 GMT 2023
PRIMARY
CAS
1187595-90-9
Created by admin on Sat Dec 16 19:12:25 GMT 2023 , Edited by admin on Sat Dec 16 19:12:25 GMT 2023
PRIMARY
PUBCHEM
66824167
Created by admin on Sat Dec 16 19:12:25 GMT 2023 , Edited by admin on Sat Dec 16 19:12:25 GMT 2023
PRIMARY