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

C21H24N6O4 — CID 175942239

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

5-methyl-7-[3-[(5-methyl-1-propylpyrazol-3-yl)carbamoyl]azetidin-1-yl]-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid (PubChem CID 175942239) has the molecular formula C21H24N6O4 and a molecular weight of 424.46 g/mol. Its IUPAC name is 5-methyl-7-[3-[(5-methyl-1-propylpyrazol-3-yl)carbamoyl]azetidin-1-yl]-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-methyl-7-[3-[(5-methyl-1-propylpyrazol-3-yl)carbamoyl]azetidin-1-yl]-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 175942239
• Molecular Formula: C21H24N6O4
• Molecular Weight: 424.46 g/mol
• Exact Mass: 424.19
• IUPAC Name: 5-methyl-7-[3-[(5-methyl-1-propylpyrazol-3-yl)carbamoyl]azetidin-1-yl]-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
• SMILES: CCCn1nc(NC(=O)C2CN(c3cc(C)c4c(=O)c(C(=O)O)c[nH]c4n3)C2)cc1C
• InChI: InChI=1S/C21H24N6O4/c1-4-5-27-12(3)7-15(25-27)23-20(29)13-9-26(10-13)16-6-11(2)17-18(28)14(21(30)31)8-22-19(17)24-16/h6-8,13H,4-5,9-10H2,1-3H3,(H,30,31)(H,22,24,28)(H,23,25,29)
• InChIKey: DAJZZSKDTXGYRP-UHFFFAOYSA-N
• XLogP: 1.92
• TPSA: 133.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.46
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-methyl-7-[3-[(5-methyl-1-propylpyrazol-3-yl)carbamoyl]azetidin-1-yl]-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid (CID 175942239) is 5-methyl-7-[3-[(5-methyl-1-propylpyrazol-3-yl)carbamoyl]azetidin-1-yl]-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid.

What is the SMILES notation for 5-methyl-7-[3-[(5-methyl-1-propylpyrazol-3-yl)carbamoyl]azetidin-1-yl]-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid?

The canonical SMILES for 5-methyl-7-[3-[(5-methyl-1-propylpyrazol-3-yl)carbamoyl]azetidin-1-yl]-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid is CCCn1nc(NC(=O)C2CN(c3cc(C)c4c(=O)c(C(=O)O)c[nH]c4n3)C2)cc1C.

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

The InChIKey is DAJZZSKDTXGYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O4/c1-4-5-27-12(3)7-15(25-27)23-20(29)13-9-26(10-13)16-6-11(2)17-18(28)14(21(30)31)8-22-19(17)24-16/h6-8,13H,4-5,9-10H2,1-3H3,(H,30,31)(H,22,24,28)(H,23,25,29).

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

5-methyl-7-[3-[(5-methyl-1-propylpyrazol-3-yl)carbamoyl]azetidin-1-yl]-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 424.46 g/mol, XLogP of 1.92, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-7-[3-[(5-methyl-1-propylpyrazol-3-yl)carbamoyl]azetidin-1-yl]-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 175942239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).