8-(3-aminophenyl)-2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one

HCID 86732017
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Basic information

Standard SMILES
COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2ccc(=O)n(-c3cccc(N)c3)c2n1
InChIKey
PZQDCWNMBFIIGV-UHFFFAOYSA-N
Molecular formula
C25H27N7O2
Average molar mass
457.5 g/mol

Names & identifiers

Preferred name
8-(3-aminophenyl)-2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one
IUPAC
8-(3-aminophenyl)-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

Names & synonyms

SCHEMBL15752404PZQDCWNMBFIIGV-UHFFFAOYSA-N8-(3-aminophenyl)-2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one

Database identifiers

PubChem CID
86732017

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
99.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
34

Related reactions

2 records
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Compound notes

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