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

C22H20FN7O4S — CID 160652036

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

7-[3-[2-(1,5-dimethylpyrazol-3-yl)acetyl]azetidin-1-yl]-6-fluoro-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 160652036) has the molecular formula C22H20FN7O4S and a molecular weight of 497.51 g/mol. Its IUPAC name is 7-[3-[2-(1,5-dimethylpyrazol-3-yl)acetyl]azetidin-1-yl]-6-fluoro-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 7-[3-[2-(1,5-dimethylpyrazol-3-yl)acetyl]azetidin-1-yl]-6-fluoro-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 160652036
• Molecular Formula: C22H20FN7O4S
• Molecular Weight: 497.51 g/mol
• Exact Mass: 497.13
• IUPAC Name: 7-[3-[2-(1,5-dimethylpyrazol-3-yl)acetyl]azetidin-1-yl]-6-fluoro-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
• SMILES: Cc1c(F)c(N2CC(C(=O)Cc3cc(C)n(C)n3)C2)nc2c1c(=O)c(C(=O)O)cn2-c1ncns1
• InChI: InChI=1S/C22H20FN7O4S/c1-10-4-13(27-28(10)3)5-15(31)12-6-29(7-12)20-17(23)11(2)16-18(32)14(21(33)34)8-30(19(16)26-20)22-24-9-25-35-22/h4,8-9,12H,5-7H2,1-3H3,(H,33,34)
• InChIKey: RKNYJLPZKUVSLJ-UHFFFAOYSA-N
• XLogP: 1.67
• TPSA: 136.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.51
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 7-[3-[2-(1,5-dimethylpyrazol-3-yl)acetyl]azetidin-1-yl]-6-fluoro-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?

The IUPAC name of 7-[3-[2-(1,5-dimethylpyrazol-3-yl)acetyl]azetidin-1-yl]-6-fluoro-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (CID 160652036) is 7-[3-[2-(1,5-dimethylpyrazol-3-yl)acetyl]azetidin-1-yl]-6-fluoro-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.

What is the SMILES notation for 7-[3-[2-(1,5-dimethylpyrazol-3-yl)acetyl]azetidin-1-yl]-6-fluoro-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?

The canonical SMILES for 7-[3-[2-(1,5-dimethylpyrazol-3-yl)acetyl]azetidin-1-yl]-6-fluoro-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is Cc1c(F)c(N2CC(C(=O)Cc3cc(C)n(C)n3)C2)nc2c1c(=O)c(C(=O)O)cn2-c1ncns1.

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

The InChIKey is RKNYJLPZKUVSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN7O4S/c1-10-4-13(27-28(10)3)5-15(31)12-6-29(7-12)20-17(23)11(2)16-18(32)14(21(33)34)8-30(19(16)26-20)22-24-9-25-35-22/h4,8-9,12H,5-7H2,1-3H3,(H,33,34).

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

7-[3-[2-(1,5-dimethylpyrazol-3-yl)acetyl]azetidin-1-yl]-6-fluoro-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 497.51 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-[2-(1,5-dimethylpyrazol-3-yl)acetyl]azetidin-1-yl]-6-fluoro-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 160652036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).