Basic information
- Standard SMILES
Cc1cc(C)c(CNC(=O)c2cc(N3CCOCC3)nc3c2cnn3C(C)C)c(=O)[nH]1- InChIKey
ZMWAJMKGAJPKER-UHFFFAOYSA-N- Molecular formula
- C22H28N6O3
- Average molar mass
- 424.5 g/mol
- Monoisotopic mass
- 424.22228878
Names & identifiers
- Preferred name
- N-[(4,6-Dimethyl-2-oxo-1,2-dihydro-3-pyridinyl)methyl]-1-(1-methylethyl)-6-(4-morpholinyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
- IUPAC
- N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
Names & synonyms
SCHEMBL1695481CHEMBL5811017ZMWAJMKGAJPKER-UHFFFAOYSA-NN-[(4,6-Dimethyl-2-oxo-1,2-dihydro-3-pyridinyl)methyl]-1-(1-methylethyl)-6-(4-morpholinyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
Database identifiers
- PubChem CID
- 56597867
- ChEMBL
CHEMBL5811017
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 773
Related reactions
2 records
Compound notes
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