methyl 3-[3-[2,5-difluoro-4-methyl-3-[(7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carbonyl)amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate

C26H25F2N7O5 — CID 175946347

About methyl 3-[3-[2,5-difluoro-4-methyl-3-[(7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carbonyl)amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate

methyl 3-[3-[2,5-difluoro-4-methyl-3-[(7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carbonyl)amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate (PubChem CID 175946347) has the molecular formula C26H25F2N7O5 and a molecular weight of 553.53 g/mol. Its IUPAC name is methyl 3-[3-[2,5-difluoro-4-methyl-3-[(7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carbonyl)amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate.

Molecular Properties

• Compound Name: methyl 3-[3-[2,5-difluoro-4-methyl-3-[(7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carbonyl)amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate
• PubChem CID: 175946347
• Molecular Formula: C26H25F2N7O5
• Molecular Weight: 553.53 g/mol
• Exact Mass: 553.19
• IUPAC Name: methyl 3-[3-[2,5-difluoro-4-methyl-3-[(7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carbonyl)amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate
• SMILES: COC(=O)N1CC(c2nc(-c3cc(F)c(C)c(NC(=O)c4cnc5cc(N6CCOCC6)ccn45)c3F)no2)C1
• InChI: InChI=1S/C26H25F2N7O5/c1-14-18(27)10-17(23-31-25(40-32-23)15-12-34(13-15)26(37)38-2)21(28)22(14)30-24(36)19-11-29-20-9-16(3-4-35(19)20)33-5-7-39-8-6-33/h3-4,9-11,15H,5-8,12-13H2,1-2H3,(H,30,36)
• InChIKey: WWZXPLOUMMZFOJ-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 127.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	553.53
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-[2,5-difluoro-4-methyl-3-[(7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carbonyl)amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate?

The IUPAC name of methyl 3-[3-[2,5-difluoro-4-methyl-3-[(7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carbonyl)amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate (CID 175946347) is methyl 3-[3-[2,5-difluoro-4-methyl-3-[(7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carbonyl)amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate.

What is the SMILES notation for methyl 3-[3-[2,5-difluoro-4-methyl-3-[(7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carbonyl)amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate?

The canonical SMILES for methyl 3-[3-[2,5-difluoro-4-methyl-3-[(7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carbonyl)amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate is COC(=O)N1CC(c2nc(-c3cc(F)c(C)c(NC(=O)c4cnc5cc(N6CCOCC6)ccn45)c3F)no2)C1.

What is the InChIKey of methyl 3-[3-[2,5-difluoro-4-methyl-3-[(7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carbonyl)amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate?

The InChIKey is WWZXPLOUMMZFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N7O5/c1-14-18(27)10-17(23-31-25(40-32-23)15-12-34(13-15)26(37)38-2)21(28)22(14)30-24(36)19-11-29-20-9-16(3-4-35(19)20)33-5-7-39-8-6-33/h3-4,9-11,15H,5-8,12-13H2,1-2H3,(H,30,36).

What are the key properties of methyl 3-[3-[2,5-difluoro-4-methyl-3-[(7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carbonyl)amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate?

methyl 3-[3-[2,5-difluoro-4-methyl-3-[(7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carbonyl)amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate has a molecular weight of 553.53 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-[3-[2,5-difluoro-4-methyl-3-[(7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carbonyl)amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate is sourced from PubChem (CID 175946347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).