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

C24H24N8O5S — CID 142435614

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

1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-7-[3-[(5-methoxy-1-methylpyrazol-3-yl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 142435614) has the molecular formula C24H24N8O5S and a molecular weight of 536.57 g/mol. Its IUPAC name is 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-7-[3-[(5-methoxy-1-methylpyrazol-3-yl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-7-[3-[(5-methoxy-1-methylpyrazol-3-yl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 142435614
• Molecular Formula: C24H24N8O5S
• Molecular Weight: 536.57 g/mol
• Exact Mass: 536.16
• IUPAC Name: 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-7-[3-[(5-methoxy-1-methylpyrazol-3-yl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
• SMILES: COc1cc(NC(=O)C2CN(c3cc(C)c4c(=O)c(C(=O)O)cn(-c5nc(C6CC6)ns5)c4n3)C2)nn1C
• InChI: InChI=1S/C24H24N8O5S/c1-11-6-16(31-8-13(9-31)22(34)25-15-7-17(37-3)30(2)28-15)26-21-18(11)19(33)14(23(35)36)10-32(21)24-27-20(29-38-24)12-4-5-12/h6-7,10,12-13H,4-5,8-9H2,1-3H3,(H,35,36)(H,25,28,34)
• InChIKey: BQSRITFKKLGINZ-UHFFFAOYSA-N
• XLogP: 1.94
• TPSA: 157.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.57
LogP ≤ 5	1.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-7-[3-[(5-methoxy-1-methylpyrazol-3-yl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 142435614) is 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-7-[3-[(5-methoxy-1-methylpyrazol-3-yl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid.

What is the SMILES notation for 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-7-[3-[(5-methoxy-1-methylpyrazol-3-yl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The canonical SMILES for 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-7-[3-[(5-methoxy-1-methylpyrazol-3-yl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid is COc1cc(NC(=O)C2CN(c3cc(C)c4c(=O)c(C(=O)O)cn(-c5nc(C6CC6)ns5)c4n3)C2)nn1C.

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

The InChIKey is BQSRITFKKLGINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O5S/c1-11-6-16(31-8-13(9-31)22(34)25-15-7-17(37-3)30(2)28-15)26-21-18(11)19(33)14(23(35)36)10-32(21)24-27-20(29-38-24)12-4-5-12/h6-7,10,12-13H,4-5,8-9H2,1-3H3,(H,35,36)(H,25,28,34).

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

1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-7-[3-[(5-methoxy-1-methylpyrazol-3-yl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 536.57 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-7-[3-[(5-methoxy-1-methylpyrazol-3-yl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 142435614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).