1-(2,4-difluorophenyl)-6-fluoro-7-(8-methoxyimino-2,6-diazaspiro[3.4]octan-6-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid

C22H18F3N5O4 — CID 54237917

IUPAC1-(2,4-difluorophenyl)-6-fluoro-7-(8-methoxyimino-2,6-diazaspiro[3.4]octan-6-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCON=C1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)CC12CNC2
InChIInChI=1S/C22H18F3N5O4/c1-34-28-17-7-29(10-22(17)8-26-9-22)20-15(25)5-12-18(31)13(21(32)33)6-30(19(12)27-20)16-3-2-11(23)4-14(16)24/h2-6,26H,7-10H2,1H3,(H,32,33)
InChIKeyQNWYSGLABSRVBB-UHFFFAOYSA-N
MW473.41 g/mol
LogP1.91
Rot. Bonds4

About 1-(2,4-difluorophenyl)-6-fluoro-7-(8-methoxyimino-2,6-diazaspiro[3.4]octan-6-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid

1-(2,4-difluorophenyl)-6-fluoro-7-(8-methoxyimino-2,6-diazaspiro[3.4]octan-6-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 54237917) has the molecular formula C22H18F3N5O4 and a molecular weight of 473.41 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-6-fluoro-7-(8-methoxyimino-2,6-diazaspiro[3.4]octan-6-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-6-fluoro-7-(8-methoxyimino-2,6-diazaspiro[3.4]octan-6-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID54237917
Molecular FormulaC22H18F3N5O4
Molecular Weight473.41 g/mol
Exact Mass473.13
IUPAC Name1-(2,4-difluorophenyl)-6-fluoro-7-(8-methoxyimino-2,6-diazaspiro[3.4]octan-6-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCON=C1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)CC12CNC2
InChIInChI=1S/C22H18F3N5O4/c1-34-28-17-7-29(10-22(17)8-26-9-22)20-15(25)5-12-18(31)13(21(32)33)6-30(19(12)27-20)16-3-2-11(23)4-14(16)24/h2-6,26H,7-10H2,1H3,(H,32,33)
InChIKeyQNWYSGLABSRVBB-UHFFFAOYSA-N
XLogP1.91
TPSA109.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.41
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(2,4-difluorophenyl)-6-fluoro-7-(8-methoxyimino-2,6-diazaspiro[3.4]octan-6-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid with MolForge

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Related Compounds

7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;1-cyclopropyl-6-fluoro-7-[(8E)-8-methoxyimino-2,6-diazaspiro[3.4]octan-6-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 172940503
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
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,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
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-[(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-(3-azidopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;methane
CID 167540695
7-[(3R)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 10252980
bis(7-[(1S,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);methanesulfonic acid
CID 173332414
7-[3-(1-aminopropan-2-ylidene)piperidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 68522369
7-chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 10546084

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-6-fluoro-7-(8-methoxyimino-2,6-diazaspiro[3.4]octan-6-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 1-(2,4-difluorophenyl)-6-fluoro-7-(8-methoxyimino-2,6-diazaspiro[3.4]octan-6-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 54237917) is 1-(2,4-difluorophenyl)-6-fluoro-7-(8-methoxyimino-2,6-diazaspiro[3.4]octan-6-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 1-(2,4-difluorophenyl)-6-fluoro-7-(8-methoxyimino-2,6-diazaspiro[3.4]octan-6-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 1-(2,4-difluorophenyl)-6-fluoro-7-(8-methoxyimino-2,6-diazaspiro[3.4]octan-6-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid is CON=C1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)CC12CNC2.
What is the InChIKey of 1-(2,4-difluorophenyl)-6-fluoro-7-(8-methoxyimino-2,6-diazaspiro[3.4]octan-6-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is QNWYSGLABSRVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O4/c1-34-28-17-7-29(10-22(17)8-26-9-22)20-15(25)5-12-18(31)13(21(32)33)6-30(19(12)27-20)16-3-2-11(23)4-14(16)24/h2-6,26H,7-10H2,1H3,(H,32,33).
What are the key properties of 1-(2,4-difluorophenyl)-6-fluoro-7-(8-methoxyimino-2,6-diazaspiro[3.4]octan-6-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
1-(2,4-difluorophenyl)-6-fluoro-7-(8-methoxyimino-2,6-diazaspiro[3.4]octan-6-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 473.41 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-6-fluoro-7-(8-methoxyimino-2,6-diazaspiro[3.4]octan-6-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 54237917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).