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

C21H16FN7O4S — CID 142435155

IUPAC6-fluoro-7-[3-[(5-methylpyridine-2-carbonyl)amino]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)NC2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ncns3)C2)nc1
InChIInChI=1S/C21H16FN7O4S/c1-10-2-3-15(23-5-10)19(31)26-11-6-28(7-11)18-14(22)4-12-16(30)13(20(32)33)8-29(17(12)27-18)21-24-9-25-34-21/h2-5,8-9,11H,6-7H2,1H3,(H,26,31)(H,32,33)
InChIKeyNDCZALMACJQNJY-UHFFFAOYSA-N
MW481.47 g/mol
LogP1.40
Rot. Bonds5

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

6-fluoro-7-[3-[(5-methylpyridine-2-carbonyl)amino]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 142435155) has the molecular formula C21H16FN7O4S and a molecular weight of 481.47 g/mol. Its IUPAC name is 6-fluoro-7-[3-[(5-methylpyridine-2-carbonyl)amino]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-7-[3-[(5-methylpyridine-2-carbonyl)amino]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID142435155
Molecular FormulaC21H16FN7O4S
Molecular Weight481.47 g/mol
Exact Mass481.10
IUPAC Name6-fluoro-7-[3-[(5-methylpyridine-2-carbonyl)amino]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)NC2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ncns3)C2)nc1
InChIInChI=1S/C21H16FN7O4S/c1-10-2-3-15(23-5-10)19(31)26-11-6-28(7-11)18-14(22)4-12-16(30)13(20(32)33)8-29(17(12)27-18)21-24-9-25-34-21/h2-5,8-9,11H,6-7H2,1H3,(H,26,31)(H,32,33)
InChIKeyNDCZALMACJQNJY-UHFFFAOYSA-N
XLogP1.40
TPSA143.20 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.47
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-fluoro-7-[3-[(5-methylpyridine-2-carbonyl)amino]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-[3-[(5-methylpyridine-2-carbonyl)amino]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 6-fluoro-7-[3-[(5-methylpyridine-2-carbonyl)amino]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (CID 142435155) is 6-fluoro-7-[3-[(5-methylpyridine-2-carbonyl)amino]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 6-fluoro-7-[3-[(5-methylpyridine-2-carbonyl)amino]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 6-fluoro-7-[3-[(5-methylpyridine-2-carbonyl)amino]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is Cc1ccc(C(=O)NC2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ncns3)C2)nc1.
What is the InChIKey of 6-fluoro-7-[3-[(5-methylpyridine-2-carbonyl)amino]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is NDCZALMACJQNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN7O4S/c1-10-2-3-15(23-5-10)19(31)26-11-6-28(7-11)18-14(22)4-12-16(30)13(20(32)33)8-29(17(12)27-18)21-24-9-25-34-21/h2-5,8-9,11H,6-7H2,1H3,(H,26,31)(H,32,33).
What are the key properties of 6-fluoro-7-[3-[(5-methylpyridine-2-carbonyl)amino]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
6-fluoro-7-[3-[(5-methylpyridine-2-carbonyl)amino]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 481.47 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-[3-[(5-methylpyridine-2-carbonyl)amino]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 142435155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).