Cenacitinib

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H19F2N7O3
Molecular Weight	431.3961
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CNC1=CC(NC2=C3OCCOC3=CC(F)=C2)=NC4=C(NC(=O)N[C@@H]5C[C@@H]5F)C=NN14

InChI

InChIKey=WMXUGUJEUBVMSQ-WDEREUQCSA-N

InChI=1S/C19H19F2N7O3/c1-22-16-7-15(24-12-4-9(20)5-14-17(12)31-3-2-30-14)27-18-13(8-23-28(16)18)26-19(29)25-11-6-10(11)21/h4-5,7-8,10-11,22H,2-3,6H2,1H3,(H,24,27)(H2,25,26,29)/t10-,11+/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

VTX958

Preferred Name

English

Cenacitinib

Official Name

English

N-{5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl}-N?-[(1R,2S)-2-fluorocyclopropyl]urea

Systematic Name

English

N-[(1R,2S)-2-Fluorocyclopropyl]-N?-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]urea

Systematic Name

English

Urea, N-[(1R,2S)-2-fluorocyclopropyl]-N?-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-

Common Name

English

cenacitinib [INN]

Common Name

English

Code System Code Type Description

NCI_THESAURUS

C211802