N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide

C27H28F2N6O4S — CID 71280663

About N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide

N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71280663) has the molecular formula C27H28F2N6O4S and a molecular weight of 570.62 g/mol. Its IUPAC name is N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(1-methylsulfonylpiperidin-4-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]-7-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 71280663
• Molecular Formula: C27H28F2N6O4S
• Molecular Weight: 570.62 g/mol
• Exact Mass: 570.19
• IUPAC Name: N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: Cc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnc2cc(C3CCN(S(C)(=O)=O)CC3)ccn12
• InChI: InChI=1S/C27H28F2N6O4S/c1-16-3-4-19(24-32-26(39-33-24)20-13-27(28,29)14-20)11-21(16)31-25(36)22-15-30-23-12-18(7-10-35(22)23)17-5-8-34(9-6-17)40(2,37)38/h3-4,7,10-12,15,17,20H,5-6,8-9,13-14H2,1-2H3,(H,31,36)
• InChIKey: MMOFMAAEZFLAQN-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 122.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.62
LogP ≤ 5	4.60
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]-7-(1-methylsulfonylpiperidin-4-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]-7-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide (CID 71280663) is N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(1-methylsulfonylpiperidin-4-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]-7-(1-methylsulfonylpiperidin-4-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]-7-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnc2cc(C3CCN(S(C)(=O)=O)CC3)ccn12.

What is the InChIKey of N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is MMOFMAAEZFLAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2N6O4S/c1-16-3-4-19(24-32-26(39-33-24)20-13-27(28,29)14-20)11-21(16)31-25(36)22-15-30-23-12-18(7-10-35(22)23)17-5-8-34(9-6-17)40(2,37)38/h3-4,7,10-12,15,17,20H,5-6,8-9,13-14H2,1-2H3,(H,31,36).

What are the key properties of N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?

N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 570.62 g/mol, XLogP of 4.60, 6 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]-7-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71280663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).