1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol;deuterio(fluoro)methane;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine;2,2,2-trifluoro-1-[1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-4-iodoimidazol-2-yl]ethanol

C40H45BF15IN8O4 — CID 157079348

About 1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol;deuterio(fluoro)methane;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine;2,2,2-trifluoro-1-[1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-4-iodoimidazol-2-yl]ethanol

1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol;deuterio(fluoro)methane;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine;2,2,2-trifluoro-1-[1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-4-iodoimidazol-2-yl]ethanol (PubChem CID 157079348) has the molecular formula C40H45BF15IN8O4 and a molecular weight of 1125.54 g/mol. Its IUPAC name is 1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol;deuterio(fluoro)methane;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine;2,2,2-trifluoro-1-[1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-4-iodoimidazol-2-yl]ethanol.

Molecular Properties

• Compound Name: 1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol;deuterio(fluoro)methane;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine;2,2,2-trifluoro-1-[1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-4-iodoimidazol-2-yl]ethanol
• PubChem CID: 157079348
• Molecular Formula: C40H45BF15IN8O4
• Molecular Weight: 1125.54 g/mol
• Exact Mass: 1125.25
• IUPAC Name: 1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol;deuterio(fluoro)methane;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine;2,2,2-trifluoro-1-[1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-4-iodoimidazol-2-yl]ethanol
• SMILES: C.CC1(C)OB(c2cnc(N)c(C(F)(F)F)c2)OC1(C)C.Nc1ncc(-c2cn(C34CC(F)(C3)C4)c(C(O)C(F)(F)F)n2)cc1C(F)(F)F.OC(c1nc(I)cn1C12CC(F)(C1)C2)C(F)(F)F.[2H]CF
• InChI: InChI=1S/C16H13F7N4O.C12H16BF3N2O2.C10H9F4IN2O.CH3F.CH4/c17-13-4-14(5-13,6-13)27-3-9(26-12(27)10(28)16(21,22)23)7-1-8(15(18,19)20)11(24)25-2-7;1-10(2)11(3,4)20-13(19-10)7-5-8(12(14,15)16)9(17)18-6-7;11-8-2-9(3-8,4-8)17-1-5(15)16-7(17)6(18)10(12,13)14;1-2;/h1-3,10,28H,4-6H2,(H2,24,25);5-6H,1-4H3,(H2,17,18);1,6,18H,2-4H2;1H3;1H4/i;;;1D
• InChIKey: ADIQBZYPMUQWDA-JLMMQWLNSA-N
• XLogP: 9.63
• TPSA: 172.38 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1125.54
LogP ≤ 5	9.63
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol;deuterio(fluoro)methane;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine;2,2,2-trifluoro-1-[1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-4-iodoimidazol-2-yl]ethanol?

The IUPAC name of 1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol;deuterio(fluoro)methane;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine;2,2,2-trifluoro-1-[1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-4-iodoimidazol-2-yl]ethanol (CID 157079348) is 1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol;deuterio(fluoro)methane;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine;2,2,2-trifluoro-1-[1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-4-iodoimidazol-2-yl]ethanol.

What is the SMILES notation for 1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol;deuterio(fluoro)methane;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine;2,2,2-trifluoro-1-[1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-4-iodoimidazol-2-yl]ethanol?

The canonical SMILES for 1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol;deuterio(fluoro)methane;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine;2,2,2-trifluoro-1-[1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-4-iodoimidazol-2-yl]ethanol is C.CC1(C)OB(c2cnc(N)c(C(F)(F)F)c2)OC1(C)C.Nc1ncc(-c2cn(C34CC(F)(C3)C4)c(C(O)C(F)(F)F)n2)cc1C(F)(F)F.OC(c1nc(I)cn1C12CC(F)(C1)C2)C(F)(F)F.[2H]CF.

What is the InChIKey of 1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol;deuterio(fluoro)methane;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine;2,2,2-trifluoro-1-[1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-4-iodoimidazol-2-yl]ethanol?

The InChIKey is ADIQBZYPMUQWDA-JLMMQWLNSA-N. The full InChI is InChI=1S/C16H13F7N4O.C12H16BF3N2O2.C10H9F4IN2O.CH3F.CH4/c17-13-4-14(5-13,6-13)27-3-9(26-12(27)10(28)16(21,22)23)7-1-8(15(18,19)20)11(24)25-2-7;1-10(2)11(3,4)20-13(19-10)7-5-8(12(14,15)16)9(17)18-6-7;11-8-2-9(3-8,4-8)17-1-5(15)16-7(17)6(18)10(12,13)14;1-2;/h1-3,10,28H,4-6H2,(H2,24,25);5-6H,1-4H3,(H2,17,18);1,6,18H,2-4H2;1H3;1H4/i;;;1D;.

What are the key properties of 1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol;deuterio(fluoro)methane;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine;2,2,2-trifluoro-1-[1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-4-iodoimidazol-2-yl]ethanol?

1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol;deuterio(fluoro)methane;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine;2,2,2-trifluoro-1-[1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-4-iodoimidazol-2-yl]ethanol has a molecular weight of 1125.54 g/mol, XLogP of 9.63, 6 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol;deuterio(fluoro)methane;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine;2,2,2-trifluoro-1-[1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-4-iodoimidazol-2-yl]ethanol is sourced from PubChem (CID 157079348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).