3-[3-[3-[(6-acetylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylic acid

C23H20N6O5 — CID 71292555

About 3-[3-[3-[(6-acetylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylic acid

3-[3-[3-[(6-acetylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylic acid (PubChem CID 71292555) has the molecular formula C23H20N6O5 and a molecular weight of 460.45 g/mol. Its IUPAC name is 3-[3-[3-[(6-acetylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylic acid.

Molecular Properties

• Compound Name: 3-[3-[3-[(6-acetylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylic acid
• PubChem CID: 71292555
• Molecular Formula: C23H20N6O5
• Molecular Weight: 460.45 g/mol
• Exact Mass: 460.15
• IUPAC Name: 3-[3-[3-[(6-acetylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylic acid
• SMILES: CC(=O)c1ccc2ncc(C(=O)Nc3cc(-c4noc(C5CN(C(=O)O)C5)n4)ccc3C)n2c1
• InChI: InChI=1S/C23H20N6O5/c1-12-3-4-14(20-26-22(34-27-20)16-9-28(10-16)23(32)33)7-17(12)25-21(31)18-8-24-19-6-5-15(13(2)30)11-29(18)19/h3-8,11,16H,9-10H2,1-2H3,(H,25,31)(H,32,33)
• InChIKey: TZNWYPZMKYLTMP-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 142.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.45
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-[(6-acetylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylic acid?

The IUPAC name of 3-[3-[3-[(6-acetylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylic acid (CID 71292555) is 3-[3-[3-[(6-acetylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylic acid.

What is the SMILES notation for 3-[3-[3-[(6-acetylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylic acid?

The canonical SMILES for 3-[3-[3-[(6-acetylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylic acid is CC(=O)c1ccc2ncc(C(=O)Nc3cc(-c4noc(C5CN(C(=O)O)C5)n4)ccc3C)n2c1.

What is the InChIKey of 3-[3-[3-[(6-acetylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylic acid?

The InChIKey is TZNWYPZMKYLTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O5/c1-12-3-4-14(20-26-22(34-27-20)16-9-28(10-16)23(32)33)7-17(12)25-21(31)18-8-24-19-6-5-15(13(2)30)11-29(18)19/h3-8,11,16H,9-10H2,1-2H3,(H,25,31)(H,32,33).

What are the key properties of 3-[3-[3-[(6-acetylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylic acid?

3-[3-[3-[(6-acetylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylic acid has a molecular weight of 460.45 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[3-[(6-acetylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylic acid is sourced from PubChem (CID 71292555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).