Basic information
- Standard SMILES
Cc1cc(C)c(CNC(=O)c2cc(N3CCCCC3)nc3c2cnn3C(C)C)c(=O)[nH]1- InChIKey
YLJSDNXHOHOAPW-UHFFFAOYSA-N- Molecular formula
- C23H30N6O2
- Average molar mass
- 422.5 g/mol
- Monoisotopic mass
- 422.24302422
Names & identifiers
- Preferred name
- N-[(4,6-Dimethyl-2-oxo-1,2-dihydro-3-pyridinyl)methyl]-1-(1-methylethyl)-6-(1-piperidinyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
- IUPAC
- N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-piperidin-1-yl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
Names & synonyms
SCHEMBL1694710CHEMBL5928903YLJSDNXHOHOAPW-UHFFFAOYSA-NN-[(4,6-Dimethyl-2-oxo-1,2-dihydro-3-pyridinyl)methyl]-1-(1-methylethyl)-6-(1-piperidinyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
Database identifiers
- PubChem CID
- 56597866
- ChEMBL
CHEMBL5928903
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 92.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 770
Related reactions
2 records
Compound notes
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