Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-, 1,1-dioxide
Basic information
- CAS
173284-28-1- Standard SMILES
Cc1cc(C)c2c(n1)S(=O)(=O)N(CCCCN1CCN(c3ncccn3)CC1)C2=O- InChIKey
APFFNPIZYKWLFR-UHFFFAOYSA-N- Molecular formula
- C20H26N6O3S
- Average molar mass
- 430.5 g/mol
- Monoisotopic mass
- 430.17870989
Names & identifiers
- Preferred name
- Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-, 1,1-dioxide
- IUPAC
- 4,6-dimethyl-1,1-dioxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-[1,2]thiazolo[5,4-b]pyridin-3-one
Names & synonyms
Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-, 1,1-dioxide4,6-Dimethyl-7-azosaccharine, 2-(4-(4-(2-pyrimidinyl-1-piperazinyl)butyl)-173284-28-1DTXSID50169570RefChem:350167DTXCID20920614,6-Dimethyl-2-{4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}-1H-1lambda~6~-[1,2]thiazolo[5,4-b]pyridine-1,1,3(2H)-trione
Database identifiers
- CAS
173284-28-1- PubChem CID
- 64794
- DTXSID
DTXSID50169570
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 700
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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