1-cyclobutyl-N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)piperidine-4-sulfonamide

C26H27F3N6O3S — CID 156840490

About 1-cyclobutyl-N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)piperidine-4-sulfonamide

1-cyclobutyl-N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)piperidine-4-sulfonamide (PubChem CID 156840490) has the molecular formula C26H27F3N6O3S and a molecular weight of 560.60 g/mol. Its IUPAC name is 1-cyclobutyl-N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)piperidine-4-sulfonamide.

Molecular Properties

• Compound Name: 1-cyclobutyl-N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)piperidine-4-sulfonamide
• PubChem CID: 156840490
• Molecular Formula: C26H27F3N6O3S
• Molecular Weight: 560.60 g/mol
• Exact Mass: 560.18
• IUPAC Name: 1-cyclobutyl-N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)piperidine-4-sulfonamide
• SMILES: O=S(=O)(C1CCN(C2CCC2)CC1)N(Cc1cn2ccc(-c3nnc(C(F)F)o3)cc2n1)c1cccc(F)c1
• InChI: InChI=1S/C26H27F3N6O3S/c27-18-3-1-6-21(14-18)35(39(36,37)22-8-11-33(12-9-22)20-4-2-5-20)16-19-15-34-10-7-17(13-23(34)30-19)25-31-32-26(38-25)24(28)29/h1,3,6-7,10,13-15,20,22,24H,2,4-5,8-9,11-12,16H2
• InChIKey: AIRXOBQTZSRPSV-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 96.84 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	560.60
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)piperidine-4-sulfonamide?

The IUPAC name of 1-cyclobutyl-N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)piperidine-4-sulfonamide (CID 156840490) is 1-cyclobutyl-N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)piperidine-4-sulfonamide.

What is the SMILES notation for 1-cyclobutyl-N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)piperidine-4-sulfonamide?

The canonical SMILES for 1-cyclobutyl-N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)piperidine-4-sulfonamide is O=S(=O)(C1CCN(C2CCC2)CC1)N(Cc1cn2ccc(-c3nnc(C(F)F)o3)cc2n1)c1cccc(F)c1.

What is the InChIKey of 1-cyclobutyl-N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)piperidine-4-sulfonamide?

The InChIKey is AIRXOBQTZSRPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N6O3S/c27-18-3-1-6-21(14-18)35(39(36,37)22-8-11-33(12-9-22)20-4-2-5-20)16-19-15-34-10-7-17(13-23(34)30-19)25-31-32-26(38-25)24(28)29/h1,3,6-7,10,13-15,20,22,24H,2,4-5,8-9,11-12,16H2.

What are the key properties of 1-cyclobutyl-N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)piperidine-4-sulfonamide?

1-cyclobutyl-N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)piperidine-4-sulfonamide has a molecular weight of 560.60 g/mol, XLogP of 4.81, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclobutyl-N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)piperidine-4-sulfonamide is sourced from PubChem (CID 156840490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).