5-(3,4-Dimethoxyphenyl)-2-[1-(isoquinolin-1-ylcarbonyl)piperidin-4-yl]-4,4-dimethyl-2,4-dihydro-3H-pyrazol-3-one

HCID 46204655

Basic information

Standard SMILES
COc1ccc(C2=NN(C3CCN(C(=O)c4nccc5ccccc45)CC3)C(=O)C2(C)C)cc1OC
InChIKey
CJZGDBANPJGYMP-UHFFFAOYSA-N
Molecular formula
C28H30N4O4
Average molar mass
486.6 g/mol

Names & identifiers

Preferred name
5-(3,4-Dimethoxyphenyl)-2-[1-(isoquinolin-1-ylcarbonyl)piperidin-4-yl]-4,4-dimethyl-2,4-dihydro-3H-pyrazol-3-one
IUPAC
5-(3,4-dimethoxyphenyl)-2-[1-(isoquinoline-1-carbonyl)piperidin-4-yl]-4,4-dimethylpyrazol-3-one

Names & synonyms

SCHEMBL2330100CJZGDBANPJGYMP-UHFFFAOYSA-N5-(3,4-Dimethoxyphenyl)-2-[1-(isoquinolin-1-ylcarbonyl)piperidin-4-yl]-4,4-dimethyl-2,4-dihydro-3H-pyrazol-3-one

Database identifiers

PubChem CID
46204655

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
84.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
36

Related reactions

3 records

Linked notes

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