Rilzabrutinib, (?Z,3S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H40FN9O3
Molecular Weight	665.7597
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(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)N6CCN(CC6)C7COC7

InChI

InChIKey=LCFFREMLXLZNHE-IEUUHXEXSA-N

InChI=1S/C36H40FN9O3/c1-36(2,45-15-13-43(14-16-45)26-21-48-22-26)18-24(19-38)35(47)44-12-6-7-25(20-44)46-34-31(33(39)40-23-41-34)32(42-46)29-11-10-28(17-30(29)37)49-27-8-4-3-5-9-27/h3-5,8-11,17-18,23,25-26H,6-7,12-16,20-22H2,1-2H3,(H2,39,40,41)/b24-18-/t25-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C36H40FN9O3
Molecular Weight	665.7597
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 20:21:53 GMT 2025` Edited by `admin` on `Wed Apr 02 20:21:53 GMT 2025`
Record UNII	P9HMV9CG85
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(Z)-(S)-2-[3-[4-amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]-4-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]pent-2-enenitrile

Preferred Name

English

Rilzabrutinib, (?Z,3S)-

Common Name

English

1-Piperidinepropanenitrile, 3-[4-amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-?-[2-methyl-2-[4-(3-oxetanyl)-1-piperazinyl]propylidene]-?-oxo-, (?Z,3S)-

Systematic Name

English

(?Z,3S)-3-[4-Amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-?-[2-methyl-2-[4-(3-oxetanyl)-1-piperazinyl]propylidene]-?-oxo-1-piperidinepropanenitrile

Systematic Name

English

Code System Code Type Description

FDA UNII

P9HMV9CG85

Created by admin on Wed Apr 02 20:21:53 GMT 2025 , Edited by admin on Wed Apr 02 20:21:53 GMT 2025

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PUBCHEM

90004027

Created by admin on Wed Apr 02 20:21:53 GMT 2025 , Edited by admin on Wed Apr 02 20:21:53 GMT 2025

PRIMARY

CAS

1575598-09-2

Created by admin on Wed Apr 02 20:21:53 GMT 2025 , Edited by admin on Wed Apr 02 20:21:53 GMT 2025

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