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

C21H20N8O4S — CID 142435438

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

7-[3-[(1,5-dimethylpyrazol-3-yl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 142435438) has the molecular formula C21H20N8O4S and a molecular weight of 480.51 g/mol. Its IUPAC name is 7-[3-[(1,5-dimethylpyrazol-3-yl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 7-[3-[(1,5-dimethylpyrazol-3-yl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 142435438
• Molecular Formula: C21H20N8O4S
• Molecular Weight: 480.51 g/mol
• Exact Mass: 480.13
• IUPAC Name: 7-[3-[(1,5-dimethylpyrazol-3-yl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
• SMILES: Cc1cc(N2CC(C(=O)Nc3cc(C)n(C)n3)C2)nc2c1c(=O)c(C(=O)O)cn2-c1ncns1
• InChI: InChI=1S/C21H20N8O4S/c1-10-4-15(28-6-12(7-28)19(31)24-14-5-11(2)27(3)26-14)25-18-16(10)17(30)13(20(32)33)8-29(18)21-22-9-23-34-21/h4-5,8-9,12H,6-7H2,1-3H3,(H,32,33)(H,24,26,31)
• InChIKey: DYVNFTJAKOMNCT-UHFFFAOYSA-N
• XLogP: 1.36
• TPSA: 148.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.51
LogP ≤ 5	1.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 7-[3-[(1,5-dimethylpyrazol-3-yl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (CID 142435438) is 7-[3-[(1,5-dimethylpyrazol-3-yl)carbamoyl]azetidin-1-yl]-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-[(1,5-dimethylpyrazol-3-yl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?

The canonical SMILES for 7-[3-[(1,5-dimethylpyrazol-3-yl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is Cc1cc(N2CC(C(=O)Nc3cc(C)n(C)n3)C2)nc2c1c(=O)c(C(=O)O)cn2-c1ncns1.

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

The InChIKey is DYVNFTJAKOMNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O4S/c1-10-4-15(28-6-12(7-28)19(31)24-14-5-11(2)27(3)26-14)25-18-16(10)17(30)13(20(32)33)8-29(18)21-22-9-23-34-21/h4-5,8-9,12H,6-7H2,1-3H3,(H,32,33)(H,24,26,31).

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

7-[3-[(1,5-dimethylpyrazol-3-yl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 480.51 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-[(1,5-dimethylpyrazol-3-yl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 142435438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).