7-(6-amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid

C22H20F2N4O3 — CID 21475372

IUPAC7-(6-amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCC12CC(N)C1CN(c1nc3c(cc1F)c(=O)c(C(=O)O)cn3-c1ccc(F)cc1)C2
InChIInChI=1S/C22H20F2N4O3/c1-22-7-17(25)15(22)9-27(10-22)20-16(24)6-13-18(29)14(21(30)31)8-28(19(13)26-20)12-4-2-11(23)3-5-12/h2-6,8,15,17H,7,9-10,25H2,1H3,(H,30,31)
InChIKeyTYMKRZMVXDHLQR-UHFFFAOYSA-N
MW426.42 g/mol
LogP2.54
Rot. Bonds3

About 7-(6-amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid

7-(6-amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 21475372) has the molecular formula C22H20F2N4O3 and a molecular weight of 426.42 g/mol. Its IUPAC name is 7-(6-amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-(6-amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID21475372
Molecular FormulaC22H20F2N4O3
Molecular Weight426.42 g/mol
Exact Mass426.15
IUPAC Name7-(6-amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCC12CC(N)C1CN(c1nc3c(cc1F)c(=O)c(C(=O)O)cn3-c1ccc(F)cc1)C2
InChIInChI=1S/C22H20F2N4O3/c1-22-7-17(25)15(22)9-27(10-22)20-16(24)6-13-18(29)14(21(30)31)8-28(19(13)26-20)12-4-2-11(23)3-5-12/h2-6,8,15,17H,7,9-10,25H2,1H3,(H,30,31)
InChIKeyTYMKRZMVXDHLQR-UHFFFAOYSA-N
XLogP2.54
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.42
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-(6-amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid with MolForge

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Related Compounds

7-[(1S,5S,6S)-6-amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl]-6-fluoro-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 70207564
7-[(1S,5S,6S)-6-amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 70207350
7-[(1S,5R,6R)-6-amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl]-1-tert-butyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 54148576
7-[(1R,5S,6S)-6-amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl]-1-tert-butyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 22862072
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-(4-amino-3,3-dimethylpyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 139625044
7-(3-amino-4-methylpyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 57248114
7-[(3aR,4R,7aS)-4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-6-fluoro-1-(4-methoxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 11155197
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-[(1R,5S,6S)-6-amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 22879472
7-[(1R,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 98079436
7-(3-aminopyrrol-1-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride
CID 174257464

Frequently Asked Questions

What is the IUPAC name of 7-(6-amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-(6-amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 21475372) is 7-(6-amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-(6-amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-(6-amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid is CC12CC(N)C1CN(c1nc3c(cc1F)c(=O)c(C(=O)O)cn3-c1ccc(F)cc1)C2.
What is the InChIKey of 7-(6-amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is TYMKRZMVXDHLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O3/c1-22-7-17(25)15(22)9-27(10-22)20-16(24)6-13-18(29)14(21(30)31)8-28(19(13)26-20)12-4-2-11(23)3-5-12/h2-6,8,15,17H,7,9-10,25H2,1H3,(H,30,31).
What are the key properties of 7-(6-amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
7-(6-amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 426.42 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 21475372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).