Basic information
- Standard SMILES
Cc1cc(C)c(CNC(=O)c2ccnc3c2cnn3C(C)C)c(=O)[nH]1- InChIKey
GQEAQQLZXOTRPN-UHFFFAOYSA-N- Molecular formula
- C18H21N5O2
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.16952493
Names & identifiers
- Preferred name
- N-[(4,6-Dimethyl-2-oxo-1,2-dihydro-3-pyridinyl)methyl]-1-(1-methylethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
- IUPAC
- N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
Names & synonyms
CHEMBL3771120SCHEMBL1694766GQEAQQLZXOTRPN-UHFFFAOYSA-NBDBM50149645N-[(4,6-Dimethyl-2-oxo-1,2-dihydro-3-pyridinyl)methyl]-1-(1-methylethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
Database identifiers
- PubChem CID
- 56597295
- ChEMBL
CHEMBL3771120
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 625
Related reactions
2 records
Compound notes
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