Pumecitinib

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H20N8O2S
Molecular Weight	400.458
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)S(=O)(=O)N1CC(CC#N)(C1)N2C=C(C(N)=N2)C3=C4C=CNC4=NC=N3

InChI

InChIKey=OUXYFMCMGWQWQF-UHFFFAOYSA-N

InChI=1S/C17H20N8O2S/c1-11(2)28(26,27)24-8-17(9-24,4-5-18)25-7-13(15(19)23-25)14-12-3-6-20-16(12)22-10-21-14/h3,6-7,10-11H,4,8-9H2,1-2H3,(H2,19,23)(H,20,21,22)

HIDE SMILES / InChI

Molecular Formula	C17H20N8O2S
Molecular Weight	400.458
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 17:01:37 GMT 2025` Edited by `admin` on `Wed Apr 02 17:01:37 GMT 2025`
Record UNII	5C5U3Z8XBY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

pumecitinib [INN]

Preferred Name

English

Pumecitinib

Official Name

English

3-Azetidineacetonitrile, 3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]-1-[(1-methylethyl)sulfonyl]-

Systematic Name

English

3-[3-Amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]-1-[(1-methylethyl)sulfonyl]-3-azetidineacetonitrile

Systematic Name

English

{3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H- pyrazol-1-yl]-1-(propane-2-sulfonyl)azetidin-3- yl}acetonitrile

Systematic Name

English

Code System Code Type Description

INN

12427