[4-[1-[3-(Cyanomethyl)-1-(ethylsulfonyl)azetidin-3-yl]-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl pivalate

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

Structure Search

SMILES

CCS(=O)(=O)N1CC(CC#N)(C1)N2C=C(C=N2)C3=C4C=CN(COC(=O)C(C)(C)C)C4=NC=N3

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

Molecular Formula	C22H27N7O4S
Molecular Weight	485.559
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 14:02:21 GMT 2025` Edited by `admin` on `Wed Apr 02 14:02:21 GMT 2025`
Record UNII	C9687ZH9QL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Baricitinib methyl pivalate

Preferred Name

English

[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

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 Wed Apr 02 14:02:21 GMT 2025 , Edited by admin on Wed Apr 02 14:02:21 GMT 2025

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CAS

1187595-90-9

Created by admin on Wed Apr 02 14:02:21 GMT 2025 , Edited by admin on Wed Apr 02 14:02:21 GMT 2025

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PUBCHEM

66824167

Created by admin on Wed Apr 02 14:02:21 GMT 2025 , Edited by admin on Wed Apr 02 14:02:21 GMT 2025

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