1-(2,4-difluorophenyl)-6-fluoro-4-oxo-7-(3-pyridin-4-ylpyrrolidin-1-yl)-1,8-naphthyridine-3-carboxylic acid

C24H17F3N4O3 — CID 15231297

IUPAC1-(2,4-difluorophenyl)-6-fluoro-4-oxo-7-(3-pyridin-4-ylpyrrolidin-1-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(-c2ccc(F)cc2F)c2nc(N3CCC(c4ccncc4)C3)c(F)cc2c1=O
InChIInChI=1S/C24H17F3N4O3/c25-15-1-2-20(18(26)9-15)31-12-17(24(33)34)21(32)16-10-19(27)23(29-22(16)31)30-8-5-14(11-30)13-3-6-28-7-4-13/h1-4,6-7,9-10,12,14H,5,8,11H2,(H,33,34)
InChIKeyDCMIENUHOKYNLR-UHFFFAOYSA-N
MW466.42 g/mol
LogP3.89
Rot. Bonds4

About 1-(2,4-difluorophenyl)-6-fluoro-4-oxo-7-(3-pyridin-4-ylpyrrolidin-1-yl)-1,8-naphthyridine-3-carboxylic acid

1-(2,4-difluorophenyl)-6-fluoro-4-oxo-7-(3-pyridin-4-ylpyrrolidin-1-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 15231297) has the molecular formula C24H17F3N4O3 and a molecular weight of 466.42 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-6-fluoro-4-oxo-7-(3-pyridin-4-ylpyrrolidin-1-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-6-fluoro-4-oxo-7-(3-pyridin-4-ylpyrrolidin-1-yl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID15231297
Molecular FormulaC24H17F3N4O3
Molecular Weight466.42 g/mol
Exact Mass466.13
IUPAC Name1-(2,4-difluorophenyl)-6-fluoro-4-oxo-7-(3-pyridin-4-ylpyrrolidin-1-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(-c2ccc(F)cc2F)c2nc(N3CCC(c4ccncc4)C3)c(F)cc2c1=O
InChIInChI=1S/C24H17F3N4O3/c25-15-1-2-20(18(26)9-15)31-12-17(24(33)34)21(32)16-10-19(27)23(29-22(16)31)30-8-5-14(11-30)13-3-6-28-7-4-13/h1-4,6-7,9-10,12,14H,5,8,11H2,(H,33,34)
InChIKeyDCMIENUHOKYNLR-UHFFFAOYSA-N
XLogP3.89
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.42
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 5517
1,8-Naphthyridine-3-carboxylic acid, 7-(1alpha,5alpha,6alpha)-6-amino-3-azabicyclo3.1.0hex-3-yl-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-
CID 62959
Amfonelic Acid
CID 2137
7-[(3S)-3-aminopyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 488361
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CID 62960
Alatrofloxacin
CID 3086677
Trevafloxavin mesylate
CID 665294
1-Ethyl-6-fluoro-4-oxo-7-[4-(2-pyridyl)piperazin-1-yl]-8-(trifluoromethyl)quinoline-3-carboxylic acid
CID 461335
6-Fluoro-1-methyl-4-oxo-7-[4-(2-pyridyl)piperazin-1-yl]-8-(trifluoromethyl)quinoline-3-carboxylic acid
CID 463720
1-Cyclopropyl-6-fluoro-4-oxo-7-[4-(2-pyridyl)piperazin-1-yl]-8-(trifluoromethyl)quinoline-3-carboxylic acid
CID 468613
7-[(1S,2R,5S,6S)-6-Amino-2-methyl-3-azabicyclo[3.1.0]hex-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
CID 10025695
1-(2,4-difluorophenyl)-6-fluoro-7-[(1S,5R)-6-(methylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 10387969

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-6-fluoro-4-oxo-7-(3-pyridin-4-ylpyrrolidin-1-yl)-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 1-(2,4-difluorophenyl)-6-fluoro-4-oxo-7-(3-pyridin-4-ylpyrrolidin-1-yl)-1,8-naphthyridine-3-carboxylic acid (CID 15231297) is 1-(2,4-difluorophenyl)-6-fluoro-4-oxo-7-(3-pyridin-4-ylpyrrolidin-1-yl)-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 1-(2,4-difluorophenyl)-6-fluoro-4-oxo-7-(3-pyridin-4-ylpyrrolidin-1-yl)-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 1-(2,4-difluorophenyl)-6-fluoro-4-oxo-7-(3-pyridin-4-ylpyrrolidin-1-yl)-1,8-naphthyridine-3-carboxylic acid is O=C(O)c1cn(-c2ccc(F)cc2F)c2nc(N3CCC(c4ccncc4)C3)c(F)cc2c1=O.
What is the InChIKey of 1-(2,4-difluorophenyl)-6-fluoro-4-oxo-7-(3-pyridin-4-ylpyrrolidin-1-yl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is DCMIENUHOKYNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N4O3/c25-15-1-2-20(18(26)9-15)31-12-17(24(33)34)21(32)16-10-19(27)23(29-22(16)31)30-8-5-14(11-30)13-3-6-28-7-4-13/h1-4,6-7,9-10,12,14H,5,8,11H2,(H,33,34).
What are the key properties of 1-(2,4-difluorophenyl)-6-fluoro-4-oxo-7-(3-pyridin-4-ylpyrrolidin-1-yl)-1,8-naphthyridine-3-carboxylic acid?
1-(2,4-difluorophenyl)-6-fluoro-4-oxo-7-(3-pyridin-4-ylpyrrolidin-1-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 466.42 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-6-fluoro-4-oxo-7-(3-pyridin-4-ylpyrrolidin-1-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 15231297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).