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

C25H26N8O4S — CID 142434856

About 7-[3-[(5-cyclopropyl-1-propylpyrazol-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-[(5-cyclopropyl-1-propylpyrazol-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 142434856) has the molecular formula C25H26N8O4S and a molecular weight of 534.60 g/mol. Its IUPAC name is 7-[3-[(5-cyclopropyl-1-propylpyrazol-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-[(5-cyclopropyl-1-propylpyrazol-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: 142434856
• Molecular Formula: C25H26N8O4S
• Molecular Weight: 534.60 g/mol
• Exact Mass: 534.18
• IUPAC Name: 7-[3-[(5-cyclopropyl-1-propylpyrazol-3-yl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
• SMILES: CCCn1nc(NC(=O)C2CN(c3cc(C)c4c(=O)c(C(=O)O)cn(-c5ncns5)c4n3)C2)cc1C1CC1
• InChI: InChI=1S/C25H26N8O4S/c1-3-6-33-17(14-4-5-14)8-18(30-33)28-23(35)15-9-31(10-15)19-7-13(2)20-21(34)16(24(36)37)11-32(22(20)29-19)25-26-12-27-38-25/h7-8,11-12,14-15H,3-6,9-10H2,1-2H3,(H,36,37)(H,28,30,35)
• InChIKey: JNYDEAYGTIVFTF-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 148.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.60
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 7-[3-[(5-cyclopropyl-1-propylpyrazol-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-[(5-cyclopropyl-1-propylpyrazol-3-yl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (CID 142434856) is 7-[3-[(5-cyclopropyl-1-propylpyrazol-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-[(5-cyclopropyl-1-propylpyrazol-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-[(5-cyclopropyl-1-propylpyrazol-3-yl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is CCCn1nc(NC(=O)C2CN(c3cc(C)c4c(=O)c(C(=O)O)cn(-c5ncns5)c4n3)C2)cc1C1CC1.

What is the InChIKey of 7-[3-[(5-cyclopropyl-1-propylpyrazol-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 JNYDEAYGTIVFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8O4S/c1-3-6-33-17(14-4-5-14)8-18(30-33)28-23(35)15-9-31(10-15)19-7-13(2)20-21(34)16(24(36)37)11-32(22(20)29-19)25-26-12-27-38-25/h7-8,11-12,14-15H,3-6,9-10H2,1-2H3,(H,36,37)(H,28,30,35).

What are the key properties of 7-[3-[(5-cyclopropyl-1-propylpyrazol-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-[(5-cyclopropyl-1-propylpyrazol-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 534.60 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-[(5-cyclopropyl-1-propylpyrazol-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 142434856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).