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

C23H21FN6O5 — CID 169268502

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

methyl 3-[3-[3-fluoro-5-[(7-methoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate (PubChem CID 169268502) has the molecular formula C23H21FN6O5 and a molecular weight of 480.46 g/mol. Its IUPAC name is methyl 3-[3-[3-fluoro-5-[(7-methoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate.

Molecular Properties

• Compound Name: methyl 3-[3-[3-fluoro-5-[(7-methoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate
• PubChem CID: 169268502
• Molecular Formula: C23H21FN6O5
• Molecular Weight: 480.46 g/mol
• Exact Mass: 480.16
• IUPAC Name: methyl 3-[3-[3-fluoro-5-[(7-methoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate
• SMILES: COC(=O)N1CC(c2nc(-c3cc(F)c(C)c(NC(=O)c4cnc5cc(OC)ccn45)c3)no2)C1
• InChI: InChI=1S/C23H21FN6O5/c1-12-16(24)6-13(20-27-22(35-28-20)14-10-29(11-14)23(32)34-3)7-17(12)26-21(31)18-9-25-19-8-15(33-2)4-5-30(18)19/h4-9,14H,10-11H2,1-3H3,(H,26,31)
• InChIKey: GOVLBXMYTDRSOY-UHFFFAOYSA-N
• XLogP: 3.26
• TPSA: 124.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.46
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of methyl 3-[3-[3-fluoro-5-[(7-methoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate (CID 169268502) is methyl 3-[3-[3-fluoro-5-[(7-methoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate.

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

The canonical SMILES for methyl 3-[3-[3-fluoro-5-[(7-methoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate is COC(=O)N1CC(c2nc(-c3cc(F)c(C)c(NC(=O)c4cnc5cc(OC)ccn45)c3)no2)C1.

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

The InChIKey is GOVLBXMYTDRSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O5/c1-12-16(24)6-13(20-27-22(35-28-20)14-10-29(11-14)23(32)34-3)7-17(12)26-21(31)18-9-25-19-8-15(33-2)4-5-30(18)19/h4-9,14H,10-11H2,1-3H3,(H,26,31).

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

methyl 3-[3-[3-fluoro-5-[(7-methoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate has a molecular weight of 480.46 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-[3-[3-fluoro-5-[(7-methoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate is sourced from PubChem (CID 169268502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).