N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-3-[4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl-[3-[[5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl-ethylsulfonylamino]-2-pyridinyl]methoxy]propylsulfonyl]amino]-2-methylimidazol-1-yl]-N-(6-fluoroimidazo[1,2-a]pyridin-2-yl)propane-1-sulfonamide

C46H42F7N17O10S6 — CID 156525677

About N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-3-[4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl-[3-[[5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl-ethylsulfonylamino]-2-pyridinyl]methoxy]propylsulfonyl]amino]-2-methylimidazol-1-yl]-N-(6-fluoroimidazo[1,2-a]pyridin-2-yl)propane-1-sulfonamide

N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-3-[4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl-[3-[[5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl-ethylsulfonylamino]-2-pyridinyl]methoxy]propylsulfonyl]amino]-2-methylimidazol-1-yl]-N-(6-fluoroimidazo[1,2-a]pyridin-2-yl)propane-1-sulfonamide (PubChem CID 156525677) has the molecular formula C46H42F7N17O10S6 and a molecular weight of 1318.34 g/mol. Its IUPAC name is N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-3-[4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl-[3-[[5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl-ethylsulfonylamino]-2-pyridinyl]methoxy]propylsulfonyl]amino]-2-methylimidazol-1-yl]-N-(6-fluoroimidazo[1,2-a]pyridin-2-yl)propane-1-sulfonamide.

Molecular Properties

• Compound Name: N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-3-[4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl-[3-[[5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl-ethylsulfonylamino]-2-pyridinyl]methoxy]propylsulfonyl]amino]-2-methylimidazol-1-yl]-N-(6-fluoroimidazo[1,2-a]pyridin-2-yl)propane-1-sulfonamide
• PubChem CID: 156525677
• Molecular Formula: C46H42F7N17O10S6
• Molecular Weight: 1318.34 g/mol
• Exact Mass: 1317.15
• IUPAC Name: N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-3-[4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl-[3-[[5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl-ethylsulfonylamino]-2-pyridinyl]methoxy]propylsulfonyl]amino]-2-methylimidazol-1-yl]-N-(6-fluoroimidazo[1,2-a]pyridin-2-yl)propane-1-sulfonamide
• SMILES: CCS(=O)(=O)N(Cc1ncc(-c2nnc(C(F)F)o2)s1)c1ccc(COCCCS(=O)(=O)N(Cc2ncc(-c3nnc(C(F)F)o3)s2)c2cn(CCCS(=O)(=O)N(Cc3ncc(-c4nnc(C(F)F)o4)s3)c3cn4cc(F)ccc4n3)c(C)n2)nc1
• InChI: InChI=1S/C46H42F7N17O10S6/c1-3-84(71,72)68(21-35-55-15-29(81-35)41-60-63-44(78-41)38(48)49)28-8-7-27(54-14-28)24-77-11-5-13-86(75,76)69(22-36-56-16-30(82-36)42-61-64-45(79-42)39(50)51)33-19-66(25(2)58-33)10-4-12-85(73,74)70(34-20-67-18-26(47)6-9-32(67)59-34)23-37-57-17-31(83-37)43-62-65-46(80-43)40(52)53/h6-9,14-20,38-40H,3-5,10-13,21-24H2,1-2H3
• InChIKey: FILNHRKFXAWJCZ-UHFFFAOYSA-N
• XLogP: 8.43
• TPSA: 324.81 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 29
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1318.34
LogP ≤ 5	8.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-3-[4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl-[3-[[5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl-ethylsulfonylamino]-2-pyridinyl]methoxy]propylsulfonyl]amino]-2-methylimidazol-1-yl]-N-(6-fluoroimidazo[1,2-a]pyridin-2-yl)propane-1-sulfonamide?

The IUPAC name of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-3-[4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl-[3-[[5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl-ethylsulfonylamino]-2-pyridinyl]methoxy]propylsulfonyl]amino]-2-methylimidazol-1-yl]-N-(6-fluoroimidazo[1,2-a]pyridin-2-yl)propane-1-sulfonamide (CID 156525677) is N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-3-[4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl-[3-[[5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl-ethylsulfonylamino]-2-pyridinyl]methoxy]propylsulfonyl]amino]-2-methylimidazol-1-yl]-N-(6-fluoroimidazo[1,2-a]pyridin-2-yl)propane-1-sulfonamide.

What is the SMILES notation for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-3-[4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl-[3-[[5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl-ethylsulfonylamino]-2-pyridinyl]methoxy]propylsulfonyl]amino]-2-methylimidazol-1-yl]-N-(6-fluoroimidazo[1,2-a]pyridin-2-yl)propane-1-sulfonamide?

The canonical SMILES for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-3-[4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl-[3-[[5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl-ethylsulfonylamino]-2-pyridinyl]methoxy]propylsulfonyl]amino]-2-methylimidazol-1-yl]-N-(6-fluoroimidazo[1,2-a]pyridin-2-yl)propane-1-sulfonamide is CCS(=O)(=O)N(Cc1ncc(-c2nnc(C(F)F)o2)s1)c1ccc(COCCCS(=O)(=O)N(Cc2ncc(-c3nnc(C(F)F)o3)s2)c2cn(CCCS(=O)(=O)N(Cc3ncc(-c4nnc(C(F)F)o4)s3)c3cn4cc(F)ccc4n3)c(C)n2)nc1.

What is the InChIKey of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-3-[4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl-[3-[[5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl-ethylsulfonylamino]-2-pyridinyl]methoxy]propylsulfonyl]amino]-2-methylimidazol-1-yl]-N-(6-fluoroimidazo[1,2-a]pyridin-2-yl)propane-1-sulfonamide?

The InChIKey is FILNHRKFXAWJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H42F7N17O10S6/c1-3-84(71,72)68(21-35-55-15-29(81-35)41-60-63-44(78-41)38(48)49)28-8-7-27(54-14-28)24-77-11-5-13-86(75,76)69(22-36-56-16-30(82-36)42-61-64-45(79-42)39(50)51)33-19-66(25(2)58-33)10-4-12-85(73,74)70(34-20-67-18-26(47)6-9-32(67)59-34)23-37-57-17-31(83-37)43-62-65-46(80-43)40(52)53/h6-9,14-20,38-40H,3-5,10-13,21-24H2,1-2H3.

What are the key properties of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-3-[4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl-[3-[[5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl-ethylsulfonylamino]-2-pyridinyl]methoxy]propylsulfonyl]amino]-2-methylimidazol-1-yl]-N-(6-fluoroimidazo[1,2-a]pyridin-2-yl)propane-1-sulfonamide?

N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-3-[4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl-[3-[[5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl-ethylsulfonylamino]-2-pyridinyl]methoxy]propylsulfonyl]amino]-2-methylimidazol-1-yl]-N-(6-fluoroimidazo[1,2-a]pyridin-2-yl)propane-1-sulfonamide has a molecular weight of 1318.34 g/mol, XLogP of 8.43, 29 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-3-[4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl-[3-[[5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl-ethylsulfonylamino]-2-pyridinyl]methoxy]propylsulfonyl]amino]-2-methylimidazol-1-yl]-N-(6-fluoroimidazo[1,2-a]pyridin-2-yl)propane-1-sulfonamide is sourced from PubChem (CID 156525677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).