6-Chloro-2-{4-[(1-cyclopentylpiperidin-4-yl)oxy]-2-methoxyphenyl}-3-methylpyrido[3,4-d]pyrimidin-4(3H)-one

HCID 11612482
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Basic information

Standard SMILES
COc1cc(OC2CCN(C3CCCC3)CC2)ccc1-c1nc2cnc(Cl)cc2c(=O)n1C
InChIKey
XNIFOALPCMUGPB-UHFFFAOYSA-N
Molecular formula
C25H29ClN4O3
Average molar mass
469 g/mol
Monoisotopic mass
468.1928185

Names & identifiers

Preferred name
6-Chloro-2-{4-[(1-cyclopentylpiperidin-4-yl)oxy]-2-methoxyphenyl}-3-methylpyrido[3,4-d]pyrimidin-4(3H)-one
IUPAC
6-chloro-2-[4-(1-cyclopentylpiperidin-4-yl)oxy-2-methoxyphenyl]-3-methylpyrido[3,4-d]pyrimidin-4-one

Names & synonyms

SCHEMBL2001416XNIFOALPCMUGPB-UHFFFAOYSA-N6-Chloro-2-{4-[(1-cyclopentylpiperidin-4-yl)oxy]-2-methoxyphenyl}-3-methylpyrido[3,4-d]pyrimidin-4(3H)-one

Database identifiers

PubChem CID
11612482

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
67.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
33

Related reactions

1 records
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Compound notes

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