2-[4-[2-(oxazolo[4,5-b]pyridin-2-ylthio)ethyl]piperazin-1-yl]-N-[2,4-bis(morpholino)-6-methylpyridin-3-yl]acetamide

HCID 21087346

Notes Reactions

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Basic information

Standard SMILES: Cc1cc(N2CCOCC2)c(NC(=O)CN2CCN(CCSc3nc4ncccc4o3)CC2)c(N2CCOCC2)n1
InChIKey: PHUFOLGCDUEHGF-UHFFFAOYSA-N
Molecular formula: C28H38N8O4S
Average molar mass: 582.7 g/mol

Names & identifiers

Preferred name: 2-[4-[2-(oxazolo[4,5-b]pyridin-2-ylthio)ethyl]piperazin-1-yl]-N-[2,4-bis(morpholino)-6-methylpyridin-3-yl]acetamide
IUPAC: N-(6-methyl-2,4-dimorpholin-4-yl-3-pyridinyl)-2-[4-[2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)ethyl]piperazin-1-yl]acetamide

Names & synonyms

SCHEMBL4526617PHUFOLGCDUEHGF-UHFFFAOYSA-N2-[4-[2-(oxazolo[4,5-b]pyridin-2-ylthio)ethyl]piperazin-1-yl]-N-[2,4-bis(morpholino)-6-methylpyridin-3-yl]acetamide

Database identifiers

PubChem CID: 21087346

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 138 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 12
Rotatable bonds: 9
Heavy atoms: 41
Formal charge: 0
Complexity: 827

Related reactions

3 records

New reaction record

HRID 227536As productuspto-grants-2009_07

HRID 319796As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 348576As productuspto-grants-2007_02

Compound notes

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