Atuzabrutinib

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H30FN7O2
Molecular Weight	539.6033
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)N2N=C(C3=C(N)N=CN=C23)C4=C(F)C=C(OC5=CC=CC=C5)C=C4

InChI

InChIKey=KZMQPYCXSAGLTB-ZWUNQBBJSA-N

InChI=1S/C30H30FN7O2/c1-30(2,3)15-19(16-32)29(39)37-13-7-8-20(17-37)38-28-25(27(33)34-18-35-28)26(36-38)23-12-11-22(14-24(23)31)40-21-9-5-4-6-10-21/h4-6,9-12,14-15,18,20H,7-8,13,17H2,1-3H3,(H2,33,34,35)/b19-15+/t20-/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

Atuzabrutinib

Official Name

English

SAR444727

Code

English

atuzabrutinib [INN]

Common Name

English

(2E)-2-[(3R)-3-[4-amino-3-(2-fluoro-4-phenoxyphenyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]-4,4-dimethylpent-2-enenitrile

Systematic Name

English

PRN473

Code

English

(αE,3R)-3-[4-Amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-α-(2,2-dimethylpropylidene)-β-oxo-1-piperidinepropanenitrile

Systematic Name

English

ATUZABRUTINIB [USAN]

Common Name

English

SAR-444727

Code

English

1-Piperidinepropanenitrile, 3-[4-amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-α-(2,2-dimethylpropylidene)-β-oxo-, (αE,3R)-

Systematic Name

English

PRN-473

Code

English

Code System Code Type Description

FDA UNII

YZ68ZB8LWA