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

C24H17F3N4O3 — CID 19959044

IUPAC1-(2,4-difluorophenyl)-6-fluoro-4-oxo-7-(3-pyridin-3-ylpyrrolidin-1-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(-c2ccc(F)cc2F)c2nc(N3CCC(c4cccnc4)C3)c(F)cc2c1=O
InChIInChI=1S/C24H17F3N4O3/c25-15-3-4-20(18(26)8-15)31-12-17(24(33)34)21(32)16-9-19(27)23(29-22(16)31)30-7-5-14(11-30)13-2-1-6-28-10-13/h1-4,6,8-10,12,14H,5,7,11H2,(H,33,34)
InChIKeyVOHDQVMOGHLZTA-UHFFFAOYSA-N
MW466.42 g/mol
LogP3.89
Rot. Bonds4

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

1-(2,4-difluorophenyl)-6-fluoro-4-oxo-7-(3-pyridin-3-ylpyrrolidin-1-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 19959044) 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-3-ylpyrrolidin-1-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-6-fluoro-4-oxo-7-(3-pyridin-3-ylpyrrolidin-1-yl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID19959044
Molecular FormulaC24H17F3N4O3
Molecular Weight466.42 g/mol
Exact Mass466.13
IUPAC Name1-(2,4-difluorophenyl)-6-fluoro-4-oxo-7-(3-pyridin-3-ylpyrrolidin-1-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(-c2ccc(F)cc2F)c2nc(N3CCC(c4cccnc4)C3)c(F)cc2c1=O
InChIInChI=1S/C24H17F3N4O3/c25-15-3-4-20(18(26)8-15)31-12-17(24(33)34)21(32)16-9-19(27)23(29-22(16)31)30-7-5-14(11-30)13-2-1-6-28-10-13/h1-4,6,8-10,12,14H,5,7,11H2,(H,33,34)
InChIKeyVOHDQVMOGHLZTA-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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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-6-fluoro-4-oxo-7-(3-pyridin-3-ylpyrrolidin-1-yl)-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 1-(2,4-difluorophenyl)-6-fluoro-4-oxo-7-(3-pyridin-3-ylpyrrolidin-1-yl)-1,8-naphthyridine-3-carboxylic acid (CID 19959044) is 1-(2,4-difluorophenyl)-6-fluoro-4-oxo-7-(3-pyridin-3-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-3-ylpyrrolidin-1-yl)-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 1-(2,4-difluorophenyl)-6-fluoro-4-oxo-7-(3-pyridin-3-ylpyrrolidin-1-yl)-1,8-naphthyridine-3-carboxylic acid is O=C(O)c1cn(-c2ccc(F)cc2F)c2nc(N3CCC(c4cccnc4)C3)c(F)cc2c1=O.
What is the InChIKey of 1-(2,4-difluorophenyl)-6-fluoro-4-oxo-7-(3-pyridin-3-ylpyrrolidin-1-yl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is VOHDQVMOGHLZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N4O3/c25-15-3-4-20(18(26)8-15)31-12-17(24(33)34)21(32)16-9-19(27)23(29-22(16)31)30-7-5-14(11-30)13-2-1-6-28-10-13/h1-4,6,8-10,12,14H,5,7,11H2,(H,33,34).
What are the key properties of 1-(2,4-difluorophenyl)-6-fluoro-4-oxo-7-(3-pyridin-3-ylpyrrolidin-1-yl)-1,8-naphthyridine-3-carboxylic acid?
1-(2,4-difluorophenyl)-6-fluoro-4-oxo-7-(3-pyridin-3-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-3-ylpyrrolidin-1-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 19959044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).