Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-, 1,1-dioxide

4,6-dimethyl-1,1-dioxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-[1,2]thiazolo[5,4-b]pyridin-3-one

CAS: 173284-28-1

Molecular Formula	`C20H26N6O3S`
Molecular Weight	430.5 g/mol
LogP	1.6
Topological Polar Surface Area	108.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	8
Rotatable Bonds	6
Exact Mass	430.1787
Heavy Atoms	30
Complexity	700.0

Chemical Identifiers

CAS Number	173284-28-1
SMILES	`CC1=CC(=NC2=C1C(=O)N(S2(=O)=O)CCCCN3CCN(CC3)C4=NC=CC=N4)C`
InChIKey	`APFFNPIZYKWLFR-UHFFFAOYSA-N`

📖 Product Overview

Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-, 1,1-dioxide (CAS: 173284-28-1) is a chemical compound with molecular formula C20H26N6O3S and molecular weight 430.5 g/mol. Its IUPAC systematic name is 4,6-dimethyl-1,1-dioxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-[1,2]thiazolo[5,4-b]pyridin-3-one. LogP 1.6 Topological Polar Surface Area 108.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 8 Rotatable Bonds 6 Exact Mass 430.1787 Heavy Atoms 30 Complexity 700.0 InChI Key: APFFNPIZYKWLFR-UHFFFAOYSA-N. SMILES: CC1=CC(=NC2=C1C(=O)N(S2(=O)=O)CCCCN3CCN(CC3)C4=NC=CC=N4)C.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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Multi-source research profile: chemical properties, regulatory status, and sourcing guide for Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-, 1,1-dioxide.

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