1-(4-((2-hydroxy-2-phenylethyl)(methyl)amino)-2-(4-(oxazol-5-yl)phenylamino)-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)ethanone

HCID 46198481

Notes Reactions

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Basic information

Standard SMILES: CC(=O)N1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(N(C)CC(O)c3ccccc3)c2C1
InChIKey: YQXYKGCEXRMIMJ-UHFFFAOYSA-N
Molecular formula: C27H28N6O3
Average molar mass: 484.5 g/mol

Names & identifiers

Preferred name: 1-(4-((2-hydroxy-2-phenylethyl)(methyl)amino)-2-(4-(oxazol-5-yl)phenylamino)-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)ethanone
IUPAC: 1-[4-[(2-hydroxy-2-phenylethyl)-methylamino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone

Names & synonyms

SCHEMBL2453296YQXYKGCEXRMIMJ-UHFFFAOYSA-N1-(4-((2-hydroxy-2-phenylethyl)(methyl)amino)-2-(4-(oxazol-5-yl)phenylamino)-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)ethanone

Database identifiers

PubChem CID: 46198481

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 108 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 7
Heavy atoms: 36
Formal charge: 0
Complexity: 714

Related reactions

2 records

New reaction record

HRID 310488As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1930579As productuspto-grants-2012_05

Compound notes

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