Basic information
- Standard SMILES
Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(NS(C)(=O)=O)cc3)nc3c2cnn3C(C)C)c(=O)[nH]1- InChIKey
AKBZTJSWWZBIFH-UHFFFAOYSA-N- Molecular formula
- C25H28N6O4S
- Average molar mass
- 508.6 g/mol
Names & identifiers
- Preferred name
- N-[(4,6-Dimethyl-2-oxo-1,2-dihydro-3-pyridinyl)methyl]-1-(1-methylethyl)-6-{4-[(methylsulfonyl)amino]phenyl}-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
- IUPAC
- N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[4-(methanesulfonamido)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
Names & synonyms
N-[(4,6-Dimethyl-2-oxo-1,2-dihydro-3-pyridinyl)methyl]-1-(1-methylethyl)-6-{4-[(methylsulfonyl)amino]phenyl}-1H-pyrazolo[3,4-b]pyridine-4-carboxamideN-[(4,6-Dimethyl-2-oxo-1,2-dihydro-3-pyridinyl)methyl]-1-(1-methylethyl)-6-{4-[(methylsulfonyl]amino]phenyl}-1H-pyrazolo[3,4-b]pyridine-4-carboxamideSCHEMBL14740246AKBZTJSWWZBIFH-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 56598146
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 1,030
Related reactions
2 records
Compound notes
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