6-fluoro-7-[3-[[5-[2-methoxyethyl(methyl)amino]-2-pyridinyl]carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid

C24H23FN8O5S — CID 142434880

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

6-fluoro-7-[3-[[5-[2-methoxyethyl(methyl)amino]-2-pyridinyl]carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 142434880) has the molecular formula C24H23FN8O5S and a molecular weight of 554.56 g/mol. Its IUPAC name is 6-fluoro-7-[3-[[5-[2-methoxyethyl(methyl)amino]-2-pyridinyl]carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-fluoro-7-[3-[[5-[2-methoxyethyl(methyl)amino]-2-pyridinyl]carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 142434880
• Molecular Formula: C24H23FN8O5S
• Molecular Weight: 554.56 g/mol
• Exact Mass: 554.15
• IUPAC Name: 6-fluoro-7-[3-[[5-[2-methoxyethyl(methyl)amino]-2-pyridinyl]carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
• SMILES: COCCN(C)c1ccc(NC(=O)C2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ncns3)C2)nc1
• InChI: InChI=1S/C24H23FN8O5S/c1-31(5-6-38-2)14-3-4-18(26-8-14)29-22(35)13-9-32(10-13)21-17(25)7-15-19(34)16(23(36)37)11-33(20(15)30-21)24-27-12-28-39-24/h3-4,7-8,11-13H,5-6,9-10H2,1-2H3,(H,36,37)(H,26,29,35)
• InChIKey: LBHOLMGADQJUTI-UHFFFAOYSA-N
• XLogP: 1.63
• TPSA: 155.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	554.56
LogP ≤ 5	1.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-[3-[[5-[2-methoxyethyl(methyl)amino]-2-pyridinyl]carbamoyl]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-[2-methoxyethyl(methyl)amino]-2-pyridinyl]carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (CID 142434880) is 6-fluoro-7-[3-[[5-[2-methoxyethyl(methyl)amino]-2-pyridinyl]carbamoyl]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-[2-methoxyethyl(methyl)amino]-2-pyridinyl]carbamoyl]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-[2-methoxyethyl(methyl)amino]-2-pyridinyl]carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is COCCN(C)c1ccc(NC(=O)C2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ncns3)C2)nc1.

What is the InChIKey of 6-fluoro-7-[3-[[5-[2-methoxyethyl(methyl)amino]-2-pyridinyl]carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?

The InChIKey is LBHOLMGADQJUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN8O5S/c1-31(5-6-38-2)14-3-4-18(26-8-14)29-22(35)13-9-32(10-13)21-17(25)7-15-19(34)16(23(36)37)11-33(20(15)30-21)24-27-12-28-39-24/h3-4,7-8,11-13H,5-6,9-10H2,1-2H3,(H,36,37)(H,26,29,35).

What are the key properties of 6-fluoro-7-[3-[[5-[2-methoxyethyl(methyl)amino]-2-pyridinyl]carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?

6-fluoro-7-[3-[[5-[2-methoxyethyl(methyl)amino]-2-pyridinyl]carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 554.56 g/mol, XLogP of 1.63, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-7-[3-[[5-[2-methoxyethyl(methyl)amino]-2-pyridinyl]carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 142434880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).