5-Fluoro-4-(4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazol-6-yl)-N-[5-(1-piperazinylmethyl)-2-pyridyl]pyrimidin-2-amine

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H28F2N8
Molecular Weight	478.5402
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-Fluoro-4-(4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazol-6-yl)-N-[5-(1-piperazinylmethyl)-2-pyridyl]pyrimidin-2-amine

Structure Search

SMILES

CC(C)N1C(C)=NC2=C1C=C(C=C2F)C3=C(F)C=NC(NC4=NC=C(CN5CCNCC5)C=C4)=N3

InChI

InChIKey=IXGZDCRFGCEEBU-UHFFFAOYSA-N

InChI=1S/C25H28F2N8/c1-15(2)35-16(3)31-24-19(26)10-18(11-21(24)35)23-20(27)13-30-25(33-23)32-22-5-4-17(12-29-22)14-34-8-6-28-7-9-34/h4-5,10-13,15,28H,6-9,14H2,1-3H3,(H,29,30,32,33)

HIDE SMILES / InChI

Molecular Formula	C25H28F2N8
Molecular Weight	478.5402
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 19:55:14 GMT 2025` Edited by `admin` on `Wed Apr 02 19:55:14 GMT 2025`
Record UNII	A45PE7YT5P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Abemaciclib metabolite M2

Preferred Name

English

5-Fluoro-4-(4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazol-6-yl)-N-[5-(1-piperazinylmethyl)-2-pyridyl]pyrimidin-2-amine

Systematic Name

English

2-Pyrimidinamine, 5-fluoro-4-[4-fluoro-2-methyl-1-(1-methylethyl)-1H-benzimidazol-6-yl]-N-[5-(1-piperazinylmethyl)-2-pyridinyl]-

Systematic Name

English

5-Fluoro-4-[4-fluoro-2-methyl-1-(1-methylethyl)-1H-benzimidazol-6-yl]-N-[5-(1-piperazinylmethyl)-2-pyridinyl]-2-pyrimidinamine

Systematic Name

English

Code System Code Type Description

PUBCHEM

59376686

Created by admin on Wed Apr 02 19:55:14 GMT 2025 , Edited by admin on Wed Apr 02 19:55:14 GMT 2025

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FDA UNII

A45PE7YT5P

Created by admin on Wed Apr 02 19:55:14 GMT 2025 , Edited by admin on Wed Apr 02 19:55:14 GMT 2025

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CAS

1231930-57-6

Created by admin on Wed Apr 02 19:55:14 GMT 2025 , Edited by admin on Wed Apr 02 19:55:14 GMT 2025

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