6-fluoro-4-oxo-7-(3-pyrazol-1-ylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid

C17H12FN7O3S — CID 142435036

IUPAC6-fluoro-4-oxo-7-(3-pyrazol-1-ylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(-c2ncns2)c2nc(N3CC(n4cccn4)C3)c(F)cc2c1=O
InChIInChI=1S/C17H12FN7O3S/c18-12-4-10-13(26)11(16(27)28)7-24(17-19-8-21-29-17)14(10)22-15(12)23-5-9(6-23)25-3-1-2-20-25/h1-4,7-9H,5-6H2,(H,27,28)
InChIKeyYPDCQRWKLZKYNW-UHFFFAOYSA-N
MW413.39 g/mol
LogP1.33
Rot. Bonds4

About 6-fluoro-4-oxo-7-(3-pyrazol-1-ylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid

6-fluoro-4-oxo-7-(3-pyrazol-1-ylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 142435036) has the molecular formula C17H12FN7O3S and a molecular weight of 413.39 g/mol. Its IUPAC name is 6-fluoro-4-oxo-7-(3-pyrazol-1-ylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-4-oxo-7-(3-pyrazol-1-ylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID142435036
Molecular FormulaC17H12FN7O3S
Molecular Weight413.39 g/mol
Exact Mass413.07
IUPAC Name6-fluoro-4-oxo-7-(3-pyrazol-1-ylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(-c2ncns2)c2nc(N3CC(n4cccn4)C3)c(F)cc2c1=O
InChIInChI=1S/C17H12FN7O3S/c18-12-4-10-13(26)11(16(27)28)7-24(17-19-8-21-29-17)14(10)22-15(12)23-5-9(6-23)25-3-1-2-20-25/h1-4,7-9H,5-6H2,(H,27,28)
InChIKeyYPDCQRWKLZKYNW-UHFFFAOYSA-N
XLogP1.33
TPSA119.03 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.39
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 6-fluoro-4-oxo-7-(3-pyrazol-1-ylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid with MolForge

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Related Compounds

6-fluoro-7-(3-formylazetidin-1-yl)-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
CID 146345518
5-methyl-4-oxo-7-(3-pyrazol-1-ylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142434549
6-fluoro-7-[3-(3-methylbutylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142435217
7-[3-(4-ethoxybutanoyl)azetidin-1-yl]-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
CID 162141297
7-[3-[[5-(dimethylamino)-2-pyridinyl]carbamoyl]azetidin-1-yl]-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142435187
6-fluoro-7-[3-[3-(oxan-3-yl)propanoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
CID 158470502
6-fluoro-7-[3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142434934
7-[3-[2-(5,6-dimethoxy-2-pyridinyl)acetyl]azetidin-1-yl]-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
CID 158197888
7-[(3R,4S)-3-amino-4-methylpyrrolidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride
CID 45262555
6-fluoro-7-[3-[[(2S)-oxan-2-yl]methoxyimino]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142435672
7-[3-(4-carboxypyrazol-1-yl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142435018
1-(3,5-difluoro-2-pyridinyl)-7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 134346790

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-oxo-7-(3-pyrazol-1-ylazetidin-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-pyrazol-1-ylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (CID 142435036) is 6-fluoro-4-oxo-7-(3-pyrazol-1-ylazetidin-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-pyrazol-1-ylazetidin-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-pyrazol-1-ylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is O=C(O)c1cn(-c2ncns2)c2nc(N3CC(n4cccn4)C3)c(F)cc2c1=O.
What is the InChIKey of 6-fluoro-4-oxo-7-(3-pyrazol-1-ylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is YPDCQRWKLZKYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN7O3S/c18-12-4-10-13(26)11(16(27)28)7-24(17-19-8-21-29-17)14(10)22-15(12)23-5-9(6-23)25-3-1-2-20-25/h1-4,7-9H,5-6H2,(H,27,28).
What are the key properties of 6-fluoro-4-oxo-7-(3-pyrazol-1-ylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
6-fluoro-4-oxo-7-(3-pyrazol-1-ylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 413.39 g/mol, XLogP of 1.33, 4 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-pyrazol-1-ylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 142435036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).