7-[(1R,2R,6S)-2-amino-8-azatricyclo[4.3.0.02,4]nonan-8-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid

C20H20F2N4O3 — CID 18738610

IUPAC7-[(1R,2R,6S)-2-amino-8-azatricyclo[4.3.0.02,4]nonan-8-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESN[C@]12CC1C[C@@H]1CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4[C@@H]3C[C@@H]3F)C[C@@H]12
InChIInChI=1S/C20H20F2N4O3/c21-13-3-15(13)26-6-11(19(28)29)16(27)10-2-14(22)18(24-17(10)26)25-5-8-1-9-4-20(9,23)12(8)7-25/h2,6,8-9,12-13,15H,1,3-5,7,23H2,(H,28,29)/t8-,9?,12+,13+,15-,20-/m1/s1
InChIKeyCKWSZEPTDDHSKE-IJMYKEJESA-N
MW402.40 g/mol
LogP1.69
Rot. Bonds3

About 7-[(1R,2R,6S)-2-amino-8-azatricyclo[4.3.0.02,4]nonan-8-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid

7-[(1R,2R,6S)-2-amino-8-azatricyclo[4.3.0.02,4]nonan-8-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 18738610) has the molecular formula C20H20F2N4O3 and a molecular weight of 402.40 g/mol. Its IUPAC name is 7-[(1R,2R,6S)-2-amino-8-azatricyclo[4.3.0.02,4]nonan-8-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-[(1R,2R,6S)-2-amino-8-azatricyclo[4.3.0.02,4]nonan-8-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID18738610
Molecular FormulaC20H20F2N4O3
Molecular Weight402.40 g/mol
Exact Mass402.15
IUPAC Name7-[(1R,2R,6S)-2-amino-8-azatricyclo[4.3.0.02,4]nonan-8-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESN[C@]12CC1C[C@@H]1CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4[C@@H]3C[C@@H]3F)C[C@@H]12
InChIInChI=1S/C20H20F2N4O3/c21-13-3-15(13)26-6-11(19(28)29)16(27)10-2-14(22)18(24-17(10)26)25-5-8-1-9-4-20(9,23)12(8)7-25/h2,6,8-9,12-13,15H,1,3-5,7,23H2,(H,28,29)/t8-,9?,12+,13+,15-,20-/m1/s1
InChIKeyCKWSZEPTDDHSKE-IJMYKEJESA-N
XLogP1.69
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-[(1R,2R,6S)-2-amino-8-azatricyclo[4.3.0.02,4]nonan-8-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

3-acetyl-7-[(1R,2R,6S)-2-amino-8-azatricyclo[4.3.0.02,4]nonan-8-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methylquinolin-4-one
CID 59075913
7-[(1R,5S,6S)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 22862065
7-(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 15713457
1-cyclopropyl-6-fluoro-7-[(1S,5S,6S)-6-hydroxy-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 67764507
7-[(3S,4R)-3-(aminomethyl)-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride
CID 70383038
7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 67742795
7-[(1R,5S,6S)-1-amino-6-methyl-3-azabicyclo[3.2.0]heptan-3-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 67490864
1-cyclopropyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 13471156
1-(2,4-difluorophenyl)-6-fluoro-4-oxo-7-spiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopropane]-3-yl-1,8-naphthyridine-3-carboxylic acid
CID 163789812
7-[3-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride
CID 70383090
1-cyclopropyl-7-[(3S,4S)-3-(ethylaminomethyl)-4-fluoropyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride
CID 70382679
7-[(1R,5R,6S)-5-amino-3-azabicyclo[4.1.0]heptan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 67789146

Frequently Asked Questions

What is the IUPAC name of 7-[(1R,2R,6S)-2-amino-8-azatricyclo[4.3.0.02,4]nonan-8-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-[(1R,2R,6S)-2-amino-8-azatricyclo[4.3.0.02,4]nonan-8-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 18738610) is 7-[(1R,2R,6S)-2-amino-8-azatricyclo[4.3.0.02,4]nonan-8-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-[(1R,2R,6S)-2-amino-8-azatricyclo[4.3.0.02,4]nonan-8-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-[(1R,2R,6S)-2-amino-8-azatricyclo[4.3.0.02,4]nonan-8-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid is N[C@]12CC1C[C@@H]1CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4[C@@H]3C[C@@H]3F)C[C@@H]12.
What is the InChIKey of 7-[(1R,2R,6S)-2-amino-8-azatricyclo[4.3.0.02,4]nonan-8-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is CKWSZEPTDDHSKE-IJMYKEJESA-N. The full InChI is InChI=1S/C20H20F2N4O3/c21-13-3-15(13)26-6-11(19(28)29)16(27)10-2-14(22)18(24-17(10)26)25-5-8-1-9-4-20(9,23)12(8)7-25/h2,6,8-9,12-13,15H,1,3-5,7,23H2,(H,28,29)/t8-,9?,12+,13+,15-,20-/m1/s1.
What are the key properties of 7-[(1R,2R,6S)-2-amino-8-azatricyclo[4.3.0.02,4]nonan-8-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?
7-[(1R,2R,6S)-2-amino-8-azatricyclo[4.3.0.02,4]nonan-8-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 402.40 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1R,2R,6S)-2-amino-8-azatricyclo[4.3.0.02,4]nonan-8-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 18738610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).