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

C18H12FN7O3S — CID 142434708

IUPAC6-fluoro-4-oxo-7-(3-pyrimidin-2-ylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(-c2ncns2)c2nc(N3CC(c4ncccn4)C3)c(F)cc2c1=O
InChIInChI=1S/C18H12FN7O3S/c19-12-4-10-13(27)11(17(28)29)7-26(18-22-8-23-30-18)15(10)24-16(12)25-5-9(6-25)14-20-2-1-3-21-14/h1-4,7-9H,5-6H2,(H,28,29)
InChIKeyIWMYNCFMABIBSN-UHFFFAOYSA-N
MW425.41 g/mol
LogP1.47
Rot. Bonds4

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

6-fluoro-4-oxo-7-(3-pyrimidin-2-ylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 142434708) has the molecular formula C18H12FN7O3S and a molecular weight of 425.41 g/mol. Its IUPAC name is 6-fluoro-4-oxo-7-(3-pyrimidin-2-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-pyrimidin-2-ylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID142434708
Molecular FormulaC18H12FN7O3S
Molecular Weight425.41 g/mol
Exact Mass425.07
IUPAC Name6-fluoro-4-oxo-7-(3-pyrimidin-2-ylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(-c2ncns2)c2nc(N3CC(c4ncccn4)C3)c(F)cc2c1=O
InChIInChI=1S/C18H12FN7O3S/c19-12-4-10-13(27)11(17(28)29)7-26(18-22-8-23-30-18)15(10)24-16(12)25-5-9(6-25)14-20-2-1-3-21-14/h1-4,7-9H,5-6H2,(H,28,29)
InChIKeyIWMYNCFMABIBSN-UHFFFAOYSA-N
XLogP1.47
TPSA126.99 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.41
LogP ≤ 51.47
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-pyrimidin-2-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-pyrimidin-2-ylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (CID 142434708) is 6-fluoro-4-oxo-7-(3-pyrimidin-2-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-pyrimidin-2-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-pyrimidin-2-ylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is O=C(O)c1cn(-c2ncns2)c2nc(N3CC(c4ncccn4)C3)c(F)cc2c1=O.
What is the InChIKey of 6-fluoro-4-oxo-7-(3-pyrimidin-2-ylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is IWMYNCFMABIBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN7O3S/c19-12-4-10-13(27)11(17(28)29)7-26(18-22-8-23-30-18)15(10)24-16(12)25-5-9(6-25)14-20-2-1-3-21-14/h1-4,7-9H,5-6H2,(H,28,29).
What are the key properties of 6-fluoro-4-oxo-7-(3-pyrimidin-2-ylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
6-fluoro-4-oxo-7-(3-pyrimidin-2-ylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 425.41 g/mol, XLogP of 1.47, 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-pyrimidin-2-ylazetidin-1-yl)-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 142434708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).