Basic information
- Standard SMILES
NC1CCN(C[C@]2(O)Cn3c(=O)c(F)cc4ncc(F)c2c43)CC1- InChIKey
UXAFBNIKQNQNSK-INIZCTEOSA-N- Molecular formula
- C16H18F2N4O2
- Average molar mass
- 336.34 g/mol
Names & identifiers
- Preferred name
- (4S)-4-[(4-amino-1-piperidinyl)methyl]-3,8-difluoro-4-hydroxy-4,5-dihydro-7H-pyrrolo[3,2,1-de]-1,5-naphthyridin-7-one
- IUPAC
- (3S)-3-[(4-aminopiperidin-1-yl)methyl]-5,10-difluoro-3-hydroxy-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one
Names & synonyms
SCHEMBL2767657UXAFBNIKQNQNSK-INIZCTEOSA-N(4S)-4-[(4-amino-1-piperidinyl)methyl]-3,8-difluoro-4-hydroxy-4,5-dihydro-7H-pyrrolo[3,2,1-de]-1,5-naphthyridin-7-one
Database identifiers
- PubChem CID
- 23633410
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 82.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 566
Related reactions
3 records
Compound notes
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