6-fluoro-4-oxo-7-[3-(pyridine-2-carbonyl)azetidin-1-yl]-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid

C20H13FN6O4S — CID 142435166

IUPAC6-fluoro-4-oxo-7-[3-(pyridine-2-carbonyl)azetidin-1-yl]-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(-c2ncns2)c2nc(N3CC(C(=O)c4ccccn4)C3)c(F)cc2c1=O
InChIInChI=1S/C20H13FN6O4S/c21-13-5-11-16(29)12(19(30)31)8-27(20-23-9-24-32-20)17(11)25-18(13)26-6-10(7-26)15(28)14-3-1-2-4-22-14/h1-5,8-10H,6-7H2,(H,30,31)
InChIKeyYAXBYDXKMRBVBK-UHFFFAOYSA-N
MW452.43 g/mol
LogP1.79
Rot. Bonds5

About 6-fluoro-4-oxo-7-[3-(pyridine-2-carbonyl)azetidin-1-yl]-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid

6-fluoro-4-oxo-7-[3-(pyridine-2-carbonyl)azetidin-1-yl]-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 142435166) has the molecular formula C20H13FN6O4S and a molecular weight of 452.43 g/mol. Its IUPAC name is 6-fluoro-4-oxo-7-[3-(pyridine-2-carbonyl)azetidin-1-yl]-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-4-oxo-7-[3-(pyridine-2-carbonyl)azetidin-1-yl]-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID142435166
Molecular FormulaC20H13FN6O4S
Molecular Weight452.43 g/mol
Exact Mass452.07
IUPAC Name6-fluoro-4-oxo-7-[3-(pyridine-2-carbonyl)azetidin-1-yl]-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(-c2ncns2)c2nc(N3CC(C(=O)c4ccccn4)C3)c(F)cc2c1=O
InChIInChI=1S/C20H13FN6O4S/c21-13-5-11-16(29)12(19(30)31)8-27(20-23-9-24-32-20)17(11)25-18(13)26-6-10(7-26)15(28)14-3-1-2-4-22-14/h1-5,8-10H,6-7H2,(H,30,31)
InChIKeyYAXBYDXKMRBVBK-UHFFFAOYSA-N
XLogP1.79
TPSA131.17 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-oxo-7-[3-(pyridine-2-carbonyl)azetidin-1-yl]-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 6-fluoro-4-oxo-7-[3-(pyridine-2-carbonyl)azetidin-1-yl]-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (CID 142435166) is 6-fluoro-4-oxo-7-[3-(pyridine-2-carbonyl)azetidin-1-yl]-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 6-fluoro-4-oxo-7-[3-(pyridine-2-carbonyl)azetidin-1-yl]-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 6-fluoro-4-oxo-7-[3-(pyridine-2-carbonyl)azetidin-1-yl]-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is O=C(O)c1cn(-c2ncns2)c2nc(N3CC(C(=O)c4ccccn4)C3)c(F)cc2c1=O.
What is the InChIKey of 6-fluoro-4-oxo-7-[3-(pyridine-2-carbonyl)azetidin-1-yl]-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is YAXBYDXKMRBVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN6O4S/c21-13-5-11-16(29)12(19(30)31)8-27(20-23-9-24-32-20)17(11)25-18(13)26-6-10(7-26)15(28)14-3-1-2-4-22-14/h1-5,8-10H,6-7H2,(H,30,31).
What are the key properties of 6-fluoro-4-oxo-7-[3-(pyridine-2-carbonyl)azetidin-1-yl]-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
6-fluoro-4-oxo-7-[3-(pyridine-2-carbonyl)azetidin-1-yl]-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 452.43 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-oxo-7-[3-(pyridine-2-carbonyl)azetidin-1-yl]-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 142435166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).