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=C2N=CN=C3N)C4=CC=C(OC5=CC=CC=C5)C=C4F

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

Molecular Formula	C30H30FN7O2
Molecular Weight	539.6033
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 12:27:05 GMT 2025` Edited by `admin` on `Wed Apr 02 12:27:05 GMT 2025`
Record UNII	YZ68ZB8LWA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(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

Preferred Name

English

Atuzabrutinib

Official Name

English

SAR444727

Code

English

atuzabrutinib [INN]

Common Name

English

PRN473

Code

English

(?E,3R)-3-[4-Amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-?-(2,2-dimethylpropylidene)-?-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]-?-(2,2-dimethylpropylidene)-?-oxo-, (?E,3R)-

Systematic Name

English

PRN-473

Code

English

Code System Code Type Description

FDA UNII

YZ68ZB8LWA