3-Chloro-N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxypropan-2-yl)anilino]pyrimidin-2-yl]amino]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-methoxyphenyl]propanamide

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H36Cl2FN7O3
Molecular Weight	620.546
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-Chloro-N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxypropan-2-yl)anilino]pyrimidin-2-yl]amino]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-methoxyphenyl]propanamide

Structure Search

SMILES

COC1=C(NC2=NC(NC3=CC(Cl)=C(F)C=C3C(C)(C)O)=CC=N2)C=C(NC(=O)CCCl)C(=C1)N4CC[C@H](C4)N(C)C

InChI

InChIKey=JMSHZERQPTYKST-QGZVFWFLSA-N

InChI=1S/C29H36Cl2FN7O3/c1-29(2,41)18-12-20(32)19(31)13-21(18)34-26-7-10-33-28(37-26)36-23-14-22(35-27(40)6-9-30)24(15-25(23)42-5)39-11-8-17(16-39)38(3)4/h7,10,12-15,17,41H,6,8-9,11,16H2,1-5H3,(H,35,40)(H2,33,34,36,37)/t17-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C29H36Cl2FN7O3
Molecular Weight	620.546
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:16:22 GMT 2025` Edited by `admin` on `Wed Apr 02 19:16:22 GMT 2025`
Record UNII	QJ87K8NAU7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-Chloro-N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxypropan-2-yl)anilino]pyrimidin-2-yl]amino]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-methoxyphenyl]propanamide

Systematic Name

English

Propanamide, 3-chloro-N-[5-[[4-[[5-chloro-4-fluoro-2-(1-hydroxy-1-methylethyl)phenyl]amino]-2-pyrimidinyl]amino]-2-[(3R)-3-(dimethylamino)-1-pyrrolidinyl]-4-methoxyphenyl]-

Preferred Name

English

Code System Code Type Description

FDA UNII

QJ87K8NAU7

Created by admin on Wed Apr 02 19:16:22 GMT 2025 , Edited by admin on Wed Apr 02 19:16:22 GMT 2025

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CAS

2897512-79-5

Created by admin on Wed Apr 02 19:16:22 GMT 2025 , Edited by admin on Wed Apr 02 19:16:22 GMT 2025

PRIMARY

PUBCHEM

169612849

Created by admin on Wed Apr 02 19:16:22 GMT 2025 , Edited by admin on Wed Apr 02 19:16:22 GMT 2025

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