tert-butyl 4-(6-(2-(5-(4-(tert-butoxycarbonyl)piperazin-1-yl)pyridin-2-ylamino)-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-6-ylamino)pyridin-3-yl)piperazine-1-carboxylate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C41H55N11O5
Molecular Weight	781.9461
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of tert-butyl 4-(6-(2-(5-(4-(tert-butoxycarbonyl)piperazin-1-yl)pyridin-2-ylamino)-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-6-ylamino)pyridin-3-yl)piperazine-1-carboxylate

Structure Search

SMILES

CC1=C(NC2=NC=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C)C(=O)N(C4CCCC4)C5=C1C=NC(NC6=NC=C(C=C6)N7CCN(CC7)C(=O)OC(C)(C)C)=N5

InChI

InChIKey=ZXAOMPKUBCILTQ-UHFFFAOYSA-N

InChI=1S/C41H55N11O5/c1-27-31-26-44-37(46-33-15-13-30(25-43-33)49-18-22-51(23-19-49)39(55)57-41(5,6)7)47-35(31)52(28-10-8-9-11-28)36(53)34(27)45-32-14-12-29(24-42-32)48-16-20-50(21-17-48)38(54)56-40(2,3)4/h12-15,24-26,28H,8-11,16-23H2,1-7H3,(H,42,45)(H,43,44,46,47)

HIDE SMILES / InChI

Molecular Formula	C41H55N11O5
Molecular Weight	781.9461
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 17:18:29 GMT 2025` Edited by `admin` on `Wed Apr 02 17:18:29 GMT 2025`
Record UNII	XV9BH9FM8B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Palbociclib Impurity 10

Preferred Name

English

tert-butyl 4-(6-(2-(5-(4-(tert-butoxycarbonyl)piperazin-1-yl)pyridin-2-ylamino)-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-6-ylamino)pyridin-3-yl)piperazine-1-carboxylate

Systematic Name

English

1,1?-Bis(1,1-dimethylethyl) 4,4?-[(8-cyclopentyl-7,8-dihydro-5-methyl-7-oxopyrido[2,3-d]pyrimidine-2,6-diyl)bis(imino-2,5-pyridinediyl)]bis[1-piperazinecarboxylate]

Systematic Name

English

di-tert-Butyl 4,4'-(6,6'-((8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-2,6-diyl)bis(azanediyl))bis(pyridine-6,3-diyl))bis(piperazine-1-carboxylate)

Systematic Name

English

1-Piperazinecarboxylic acid, 4,4?-[(8-cyclopentyl-7,8-dihydro-5-methyl-7-oxopyrido[2,3-d]pyrimidine-2,6-diyl)bis(imino-2,5-pyridinediyl)]bis-, 1,1?-bis(1,1-dimethylethyl) ester

Systematic Name

English

Code System Code Type Description

FDA UNII

XV9BH9FM8B

Created by admin on Wed Apr 02 17:18:29 GMT 2025 , Edited by admin on Wed Apr 02 17:18:29 GMT 2025

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CAS

2206135-30-8

Created by admin on Wed Apr 02 17:18:29 GMT 2025 , Edited by admin on Wed Apr 02 17:18:29 GMT 2025

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PUBCHEM

169435512

Created by admin on Wed Apr 02 17:18:29 GMT 2025 , Edited by admin on Wed Apr 02 17:18:29 GMT 2025

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