Basic information
- CAS
135026-90-3- Standard SMILES
C[C@H](N)[C@@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1- InChIKey
WPMBVEWHIIMBCK-VHSXEESVSA-N- Molecular formula
- C18H21FN4O3
- Average molar mass
- 360.4 g/mol
- Monoisotopic mass
- 360.15976871
Names & identifiers
- Preferred name
- 7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
- IUPAC
- 7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
Names & synonyms
135026-90-37-((R)-3-((S)-1-Aminoethyl)pyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid7-{(3R)-3-[(1S)-1-Aminoethyl]pyrrolidin-1-yl}-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid(S-(R,S))-7-(3-(1-Aminoethyl)-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-(1-aminoethyl)-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-4-oxo-, (S-(R*,S*))-7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acidSCHEMBL8925459DTXSID10159215
Database identifiers
- CAS
135026-90-3- PubChem CID
- 198744
- DTXSID
DTXSID10159215- Nikkaji
- J404.925J
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 99.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 638
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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