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

C25H24F2N6O5 — CID 86677462

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

methyl 3-[3-[3-[[6-(2,2-difluoroethoxymethyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate (PubChem CID 86677462) has the molecular formula C25H24F2N6O5 and a molecular weight of 526.50 g/mol. Its IUPAC name is methyl 3-[3-[3-[[6-(2,2-difluoroethoxymethyl)imidazo[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-[[6-(2,2-difluoroethoxymethyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate
• PubChem CID: 86677462
• Molecular Formula: C25H24F2N6O5
• Molecular Weight: 526.50 g/mol
• Exact Mass: 526.18
• IUPAC Name: methyl 3-[3-[3-[[6-(2,2-difluoroethoxymethyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate
• SMILES: COC(=O)N1CC(c2nc(-c3ccc(C)c(NC(=O)c4cnc5ccc(COCC(F)F)cn45)c3)no2)C1
• InChI: InChI=1S/C25H24F2N6O5/c1-14-3-5-16(22-30-24(38-31-22)17-10-32(11-17)25(35)36-2)7-18(14)29-23(34)19-8-28-21-6-4-15(9-33(19)21)12-37-13-20(26)27/h3-9,17,20H,10-13H2,1-2H3,(H,29,34)
• InChIKey: KJRZYPVLUNVCNX-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 124.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.50
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-[3-[[6-(2,2-difluoroethoxymethyl)imidazo[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-[[6-(2,2-difluoroethoxymethyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate (CID 86677462) is methyl 3-[3-[3-[[6-(2,2-difluoroethoxymethyl)imidazo[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-[[6-(2,2-difluoroethoxymethyl)imidazo[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-[[6-(2,2-difluoroethoxymethyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate is COC(=O)N1CC(c2nc(-c3ccc(C)c(NC(=O)c4cnc5ccc(COCC(F)F)cn45)c3)no2)C1.

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

The InChIKey is KJRZYPVLUNVCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N6O5/c1-14-3-5-16(22-30-24(38-31-22)17-10-32(11-17)25(35)36-2)7-18(14)29-23(34)19-8-28-21-6-4-15(9-33(19)21)12-37-13-20(26)27/h3-9,17,20H,10-13H2,1-2H3,(H,29,34).

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

methyl 3-[3-[3-[[6-(2,2-difluoroethoxymethyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate has a molecular weight of 526.50 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-[3-[3-[[6-(2,2-difluoroethoxymethyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate is sourced from PubChem (CID 86677462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).