4-((4-ACETYLPIPERAZIN-1-YL)METHYL)-N-(6-METHYL-5-((4-(3-PYRIDYL)PYRIMIDIN-2-YL)AMINO)-3-PYRIDYL)-3-(TRIFLUOROMETHYL)BENZAMIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C30H29F3N8O2
Molecular Weight	590.5989
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-((4-ACETYLPIPERAZIN-1-YL)METHYL)-N-(6-METHYL-5-((4-(3-PYRIDYL)PYRIMIDIN-2-YL)AMINO)-3-PYRIDYL)-3-(TRIFLUOROMETHYL)BENZAMIDE

Structure Search

SMILES

CC(=O)N1CCN(CC2=CC=C(C=C2C(F)(F)F)C(=O)NC3=CC(NC4=NC=CC(=N4)C5=CC=CN=C5)=C(C)N=C3)CC1

InChI

InChIKey=PNAOBVQNHAIOAU-UHFFFAOYSA-N

InChI=1S/C30H29F3N8O2/c1-19-27(39-29-35-9-7-26(38-29)22-4-3-8-34-16-22)15-24(17-36-19)37-28(43)21-5-6-23(25(14-21)30(31,32)33)18-40-10-12-41(13-11-40)20(2)42/h3-9,14-17H,10-13,18H2,1-2H3,(H,37,43)(H,35,38,39)

HIDE SMILES / InChI

Molecular Formula	C30H29F3N8O2
Molecular Weight	590.5989
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 `Sat Dec 16 16:42:10 GMT 2023` Edited by `admin` on `Sat Dec 16 16:42:10 GMT 2023`
Record UNII	6T0NJN1VL9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-((4-ACETYLPIPERAZIN-1-YL)METHYL)-N-(6-METHYL-5-((4-(3-PYRIDYL)PYRIMIDIN-2-YL)AMINO)-3-PYRIDYL)-3-(TRIFLUOROMETHYL)BENZAMIDE

Systematic Name

English

FLUMATINIB METABOLITE M20

Common Name

English

Code System Code Type Description

PUBCHEM

154584923

Created by admin on Sat Dec 16 16:42:10 GMT 2023 , Edited by admin on Sat Dec 16 16:42:10 GMT 2023

PRIMARY

FDA UNII

6T0NJN1VL9

Created by admin on Sat Dec 16 16:42:10 GMT 2023 , Edited by admin on Sat Dec 16 16:42:10 GMT 2023

PRIMARY

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FLUMBATINIB

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Qualification:

FECAL

Amount: