Basic information
- Standard SMILES
N[C@H]1CCCC[C@H]1Nc1nc(Br)c2c(c1F)CNC2=O- InChIKey
WPXDVKWHELAMGB-JGVFFNPUSA-N- Molecular formula
- C13H16BrFN4O
- Average molar mass
- 343.19 g/mol
- Monoisotopic mass
- 342.04915
Names & identifiers
- Preferred name
- 6-((1R,2S)-2-Aminocyclohexylamino)-4-bromo-7-fluoro-1H-pyrrolo[3,4-c]pyridin-3(2H)-one
- IUPAC
- 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-bromo-7-fluoro-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
Names & synonyms
SCHEMBL1987521WPXDVKWHELAMGB-JGVFFNPUSA-N6-((1R,2S)-2-Aminocyclohexylamino)-4-bromo-7-fluoro-1H-pyrrolo[3,4-c]pyridin-3(2H)-one
Database identifiers
- PubChem CID
- 58317637
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 385
Related reactions
3 records
Compound notes
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