tert-Butyl 4-[6-(6-bromo-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidin-2-ylamino)-pyridin-3-yl]-piperazine-1-carboxylate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H34BrN7O3
Molecular Weight	584.508
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of tert-Butyl 4-[6-(6-bromo-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidin-2-ylamino)-pyridin-3-yl]-piperazine-1-carboxylate

Structure Search

SMILES

CC1=C(Br)C(=O)N(C2CCCC2)C3=C1C=NC(NC4=NC=C(C=C4)N5CCN(CC5)C(=O)OC(C)(C)C)=N3

InChI

InChIKey=UTSOLZWQDXJQRH-UHFFFAOYSA-N

InChI=1S/C27H34BrN7O3/c1-17-20-16-30-25(32-23(20)35(24(36)22(17)28)18-7-5-6-8-18)31-21-10-9-19(15-29-21)33-11-13-34(14-12-33)26(37)38-27(2,3)4/h9-10,15-16,18H,5-8,11-14H2,1-4H3,(H,29,30,31,32)

HIDE SMILES / InChI

Molecular Formula	C27H34BrN7O3
Molecular Weight	584.508
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:18:27 GMT 2025` Edited by `admin` on `Wed Apr 02 17:18:27 GMT 2025`
Record UNII	DJ83Q7P452
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

tert-Butyl 4-[6-(6-bromo-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidin-2-ylamino)-pyridin-3-yl]-piperazine-1-carboxylate

Systematic Name

English

1-Piperazinecarboxylic acid, 4-[6-[(6-bromo-8-cyclopentyl-7,8-dihydro-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-, 1,1-dimethylethyl ester

Preferred Name

English

Code System Code Type Description

FDA UNII

DJ83Q7P452

Created by admin on Wed Apr 02 17:18:27 GMT 2025 , Edited by admin on Wed Apr 02 17:18:27 GMT 2025

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EPA CompTox

DTXSID20457133

Created by admin on Wed Apr 02 17:18:27 GMT 2025 , Edited by admin on Wed Apr 02 17:18:27 GMT 2025

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CAS

571188-82-4

Created by admin on Wed Apr 02 17:18:27 GMT 2025 , Edited by admin on Wed Apr 02 17:18:27 GMT 2025

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PUBCHEM

11157536

Created by admin on Wed Apr 02 17:18:27 GMT 2025 , Edited by admin on Wed Apr 02 17:18:27 GMT 2025

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