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
- Formal charge
- 0
- Complexity
- 852
Related reactions
3 records
Linked notes
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