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

C25H25FN6O4 — CID 175946406

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

methyl 3-[3-[3-fluoro-4-methyl-5-[(7-propan-2-ylimidazo[1,2-a]pyridine-3-carbonyl)amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate (PubChem CID 175946406) has the molecular formula C25H25FN6O4 and a molecular weight of 492.51 g/mol. Its IUPAC name is methyl 3-[3-[3-fluoro-4-methyl-5-[(7-propan-2-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-[3-fluoro-4-methyl-5-[(7-propan-2-ylimidazo[1,2-a]pyridine-3-carbonyl)amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate
• PubChem CID: 175946406
• Molecular Formula: C25H25FN6O4
• Molecular Weight: 492.51 g/mol
• Exact Mass: 492.19
• IUPAC Name: methyl 3-[3-[3-fluoro-4-methyl-5-[(7-propan-2-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(C(C)C)ccn45)c3)no2)C1
• InChI: InChI=1S/C25H25FN6O4/c1-13(2)15-5-6-32-20(10-27-21(32)9-15)23(33)28-19-8-16(7-18(26)14(19)3)22-29-24(36-30-22)17-11-31(12-17)25(34)35-4/h5-10,13,17H,11-12H2,1-4H3,(H,28,33)
• InChIKey: RJIRDSQCNMOLNF-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 114.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.51
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-[3-fluoro-4-methyl-5-[(7-propan-2-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-[3-fluoro-4-methyl-5-[(7-propan-2-ylimidazo[1,2-a]pyridine-3-carbonyl)amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate (CID 175946406) is methyl 3-[3-[3-fluoro-4-methyl-5-[(7-propan-2-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-[3-fluoro-4-methyl-5-[(7-propan-2-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-[3-fluoro-4-methyl-5-[(7-propan-2-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(C(C)C)ccn45)c3)no2)C1.

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

The InChIKey is RJIRDSQCNMOLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O4/c1-13(2)15-5-6-32-20(10-27-21(32)9-15)23(33)28-19-8-16(7-18(26)14(19)3)22-29-24(36-30-22)17-11-31(12-17)25(34)35-4/h5-10,13,17H,11-12H2,1-4H3,(H,28,33).

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

methyl 3-[3-[3-fluoro-4-methyl-5-[(7-propan-2-ylimidazo[1,2-a]pyridine-3-carbonyl)amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate has a molecular weight of 492.51 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-[3-[3-fluoro-4-methyl-5-[(7-propan-2-ylimidazo[1,2-a]pyridine-3-carbonyl)amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate is sourced from PubChem (CID 175946406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).