Basic information
- Standard SMILES
COc1cncc(OC)c1C1CCCC(=O)N1Cc1cccc(-n2cccn2)n1- InChIKey
SRICRIMAFDRKIO-UHFFFAOYSA-N- Molecular formula
- C21H23N5O3
- Average molar mass
- 393.4 g/mol
Names & identifiers
- Preferred name
- 1-((6-(1H-pyrazol-1-yl)pyridin-2-yl)methyl)-6-(3,5-dimethoxypyridin-4-yl)piperidin-2-one
- IUPAC
- 6-(3,5-dimethoxy-4-pyridinyl)-1-[(6-pyrazol-1-yl-2-pyridinyl)methyl]piperidin-2-one
Names & synonyms
SCHEMBL4531951CHEMBL3916366SRICRIMAFDRKIO-UHFFFAOYSA-NBDBM202919US9242970, 661-((6-(1H-pyrazol-1-yl)pyridin-2-yl)methyl)-6-(3,5-dimethoxypyridin-4-yl)piperidin-2-one
Database identifiers
- PubChem CID
- 69080959
- ChEMBL
CHEMBL3916366
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 82.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 538
Related reactions
1 records
Compound notes
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