N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridine-3-carboxamide

C25H21F2N7O2 — CID 71280813

About N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridine-3-carboxamide

N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71280813) has the molecular formula C25H21F2N7O2 and a molecular weight of 489.49 g/mol. Its IUPAC name is N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 71280813
• Molecular Formula: C25H21F2N7O2
• Molecular Weight: 489.49 g/mol
• Exact Mass: 489.17
• IUPAC Name: N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: Cc1cn(-c2ccc3ncc(C(=O)Nc4cc(-c5noc(C6CC(F)(F)C6)n5)ccc4C)n3c2)cn1
• InChI: InChI=1S/C25H21F2N7O2/c1-14-3-4-16(22-31-24(36-32-22)17-8-25(26,27)9-17)7-19(14)30-23(35)20-10-28-21-6-5-18(12-34(20)21)33-11-15(2)29-13-33/h3-7,10-13,17H,8-9H2,1-2H3,(H,30,35)
• InChIKey: NRUQPKZIUNPPNZ-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 103.14 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	489.49
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridine-3-carboxamide (CID 71280813) is N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridine-3-carboxamide is Cc1cn(-c2ccc3ncc(C(=O)Nc4cc(-c5noc(C6CC(F)(F)C6)n5)ccc4C)n3c2)cn1.

What is the InChIKey of N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is NRUQPKZIUNPPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N7O2/c1-14-3-4-16(22-31-24(36-32-22)17-8-25(26,27)9-17)7-19(14)30-23(35)20-10-28-21-6-5-18(12-34(20)21)33-11-15(2)29-13-33/h3-7,10-13,17H,8-9H2,1-2H3,(H,30,35).

What are the key properties of N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridine-3-carboxamide?

N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 489.49 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71280813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).