Basic information
- Standard SMILES
Cn1c(=O)n(CC(C)(C)C)c2ccc(C3=CC4CCC3CN4C(=O)c3ccon3)nc21- InChIKey
QMGWNCFCWXUZEI-UHFFFAOYSA-N- Molecular formula
- C23H27N5O3
- Average molar mass
- 421.5 g/mol
Names & identifiers
- Preferred name
- 1-(2,2-Dimethylpropyl)-5-[2-(isoxazol-3-ylcarbonyl)-2-azabicyclo[2.2.2]-oct-5-en-5-yl]-3-methyl-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one
- IUPAC
- 1-(2,2-dimethylpropyl)-3-methyl-5-[2-(1,2-oxazole-3-carbonyl)-2-azabicyclo[2.2.2]oct-5-en-5-yl]imidazo[4,5-b]pyridin-2-one
Names & synonyms
CHEMBL3939174SCHEMBL14317342QMGWNCFCWXUZEI-UHFFFAOYSA-NBDBM222972US9315518, 2-7US9315518, 5-21-(2,2-Dimethylpropyl)-5-[2-(isoxazol-3-ylcarbonyl)-2-azabicyclo[2.2.2]-oct-5-en-5-yl]-3-methyl-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one
Database identifiers
- PubChem CID
- 71136746
- ChEMBL
CHEMBL3939174
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 82.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 778
Related reactions
2 records
Compound notes
Loading…