bis[(2,2,2-trifluoroacetyl)oxy]mercury;N-[[7-ethyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]acetamide;2-[[3-ethyl-12-methyl-4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl-trimethylsilane

C58H74F6HgN8O11Si2 — CID 159291540

About bis[(2,2,2-trifluoroacetyl)oxy]mercury;N-[[7-ethyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]acetamide;2-[[3-ethyl-12-methyl-4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl-trimethylsilane

bis[(2,2,2-trifluoroacetyl)oxy]mercury;N-[[7-ethyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]acetamide;2-[[3-ethyl-12-methyl-4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl-trimethylsilane (PubChem CID 159291540) has the molecular formula C58H74F6HgN8O11Si2 and a molecular weight of 1430.02 g/mol. Its IUPAC name is bis[(2,2,2-trifluoroacetyl)oxy]mercury;N-[[7-ethyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]acetamide;2-[[3-ethyl-12-methyl-4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: bis[(2,2,2-trifluoroacetyl)oxy]mercury;N-[[7-ethyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]acetamide;2-[[3-ethyl-12-methyl-4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 159291540
• Molecular Formula: C58H74F6HgN8O11Si2
• Molecular Weight: 1430.02 g/mol
• Exact Mass: 1430.46
• IUPAC Name: bis[(2,2,2-trifluoroacetyl)oxy]mercury;N-[[7-ethyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]acetamide;2-[[3-ethyl-12-methyl-4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl-trimethylsilane
• SMILES: CCc1c(-c2ccc(C3(C)OCCO3)cc2)n(COCC[Si](C)(C)C)c2ncc(CNC(C)=O)nc12.CCc1c(-c2ccc(C3(C)OCCO3)cc2)n(COCC[Si](C)(C)C)c2ncc3cnc(C)n3c12.O=C(O[Hg]OC(=O)C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C27H38N4O4Si.C27H36N4O3Si.2C2HF3O2.Hg/c1-7-23-24-26(29-17-22(30-24)16-28-19(2)32)31(18-33-14-15-36(4,5)6)25(23)20-8-10-21(11-9-20)27(3)34-12-13-35-27;1-7-23-24(20-8-10-21(11-9-20)27(3)33-12-13-34-27)30(18-32-14-15-35(4,5)6)26-25(23)31-19(2)28-16-22(31)17-29-26;2*3-2(4,5)1(6)7;/h8-11,17H,7,12-16,18H2,1-6H3,(H,28,32);8-11,16-17H,7,12-15,18H2,1-6H3;2*(H,6,7);/q;;;;+2/p-2
• InChIKey: LAEOOMKAPRORHV-UHFFFAOYSA-L
• XLogP: 11.69
• TPSA: 202.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 20
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1430.02
LogP ≤ 5	11.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis[(2,2,2-trifluoroacetyl)oxy]mercury;N-[[7-ethyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]acetamide;2-[[3-ethyl-12-methyl-4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of bis[(2,2,2-trifluoroacetyl)oxy]mercury;N-[[7-ethyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]acetamide;2-[[3-ethyl-12-methyl-4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl-trimethylsilane (CID 159291540) is bis[(2,2,2-trifluoroacetyl)oxy]mercury;N-[[7-ethyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]acetamide;2-[[3-ethyl-12-methyl-4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for bis[(2,2,2-trifluoroacetyl)oxy]mercury;N-[[7-ethyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]acetamide;2-[[3-ethyl-12-methyl-4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for bis[(2,2,2-trifluoroacetyl)oxy]mercury;N-[[7-ethyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]acetamide;2-[[3-ethyl-12-methyl-4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl-trimethylsilane is CCc1c(-c2ccc(C3(C)OCCO3)cc2)n(COCC[Si](C)(C)C)c2ncc(CNC(C)=O)nc12.CCc1c(-c2ccc(C3(C)OCCO3)cc2)n(COCC[Si](C)(C)C)c2ncc3cnc(C)n3c12.O=C(O[Hg]OC(=O)C(F)(F)F)C(F)(F)F.

What is the InChIKey of bis[(2,2,2-trifluoroacetyl)oxy]mercury;N-[[7-ethyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]acetamide;2-[[3-ethyl-12-methyl-4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is LAEOOMKAPRORHV-UHFFFAOYSA-L. The full InChI is InChI=1S/C27H38N4O4Si.C27H36N4O3Si.2C2HF3O2.Hg/c1-7-23-24-26(29-17-22(30-24)16-28-19(2)32)31(18-33-14-15-36(4,5)6)25(23)20-8-10-21(11-9-20)27(3)34-12-13-35-27;1-7-23-24(20-8-10-21(11-9-20)27(3)33-12-13-34-27)30(18-32-14-15-35(4,5)6)26-25(23)31-19(2)28-16-22(31)17-29-26;2*3-2(4,5)1(6)7;/h8-11,17H,7,12-16,18H2,1-6H3,(H,28,32);8-11,16-17H,7,12-15,18H2,1-6H3;2*(H,6,7);/q;;;;+2/p-2.

What are the key properties of bis[(2,2,2-trifluoroacetyl)oxy]mercury;N-[[7-ethyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]acetamide;2-[[3-ethyl-12-methyl-4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl-trimethylsilane?

bis[(2,2,2-trifluoroacetyl)oxy]mercury;N-[[7-ethyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]acetamide;2-[[3-ethyl-12-methyl-4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 1430.02 g/mol, XLogP of 11.69, 20 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for bis[(2,2,2-trifluoroacetyl)oxy]mercury;N-[[7-ethyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]methyl]acetamide;2-[[3-ethyl-12-methyl-4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 159291540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).