5-Bromo-1-tert-butyl-3-cyclobutyl-1,7-dihydro-pyrazolo[3,4-b]pyridin-6-one
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Basic information
- Standard SMILES
CC(C)(C)n1nc(C2CCC2)c2cc(Br)c(=O)[nH]c21- InChIKey
IJFSEEIHOHHTKF-UHFFFAOYSA-N- Molecular formula
- C14H18BrN3O
- Average molar mass
- 324.22 g/mol
- Monoisotopic mass
- 323.06332
Names & identifiers
- Preferred name
- 5-Bromo-1-tert-butyl-3-cyclobutyl-1,7-dihydro-pyrazolo[3,4-b]pyridin-6-one
- IUPAC
- 5-bromo-1-tert-butyl-3-cyclobutyl-7H-pyrazolo[3,4-b]pyridin-6-one
Names & synonyms
SCHEMBL4714879IJFSEEIHOHHTKF-UHFFFAOYSA-N5-bromo-1-tert-butyl-3-cyclobutyl-1,7-dihydro -pyrazolo[3,4-b]pyridin-6-one5-bromo-1-tert-butyl-3-cyclobutyl-1,7-dihydro-pyrazolo[3,4-b]pyridin-6-one
Database identifiers
- PubChem CID
- 136338641
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 46.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 425
Related reactions
3 records
Compound notes
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