methyl 2-[3-[4-methyl-3-[(6-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate

C23H22N6O4 — CID 71289512

About methyl 2-[3-[4-methyl-3-[(6-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate

methyl 2-[3-[4-methyl-3-[(6-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate (PubChem CID 71289512) has the molecular formula C23H22N6O4 and a molecular weight of 446.47 g/mol. Its IUPAC name is methyl 2-[3-[4-methyl-3-[(6-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate.

Molecular Properties

• Compound Name: methyl 2-[3-[4-methyl-3-[(6-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate
• PubChem CID: 71289512
• Molecular Formula: C23H22N6O4
• Molecular Weight: 446.47 g/mol
• Exact Mass: 446.17
• IUPAC Name: methyl 2-[3-[4-methyl-3-[(6-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate
• SMILES: COC(=O)N1CCC1c1nc(-c2ccc(C)c(NC(=O)c3cnc4ccc(C)cn34)c2)no1
• InChI: InChI=1S/C23H22N6O4/c1-13-4-7-19-24-11-18(29(19)12-13)21(30)25-16-10-15(6-5-14(16)2)20-26-22(33-27-20)17-8-9-28(17)23(31)32-3/h4-7,10-12,17H,8-9H2,1-3H3,(H,25,30)
• InChIKey: PJELAXLLVAGPEB-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 114.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.47
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[4-methyl-3-[(6-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate?

The IUPAC name of methyl 2-[3-[4-methyl-3-[(6-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate (CID 71289512) is methyl 2-[3-[4-methyl-3-[(6-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate.

What is the SMILES notation for methyl 2-[3-[4-methyl-3-[(6-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate?

The canonical SMILES for methyl 2-[3-[4-methyl-3-[(6-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate is COC(=O)N1CCC1c1nc(-c2ccc(C)c(NC(=O)c3cnc4ccc(C)cn34)c2)no1.

What is the InChIKey of methyl 2-[3-[4-methyl-3-[(6-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate?

The InChIKey is PJELAXLLVAGPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O4/c1-13-4-7-19-24-11-18(29(19)12-13)21(30)25-16-10-15(6-5-14(16)2)20-26-22(33-27-20)17-8-9-28(17)23(31)32-3/h4-7,10-12,17H,8-9H2,1-3H3,(H,25,30).

What are the key properties of methyl 2-[3-[4-methyl-3-[(6-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate?

methyl 2-[3-[4-methyl-3-[(6-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate has a molecular weight of 446.47 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[3-[4-methyl-3-[(6-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate is sourced from PubChem (CID 71289512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).