8-(bromomethylidene)-1,4-dioxaspiro[4.5]decane;2-[[5-(1,4-dioxaspiro[4.5]decan-8-ylidenemethyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane

C58H84BBrN8O8Si2 — CID 158493431

About 8-(bromomethylidene)-1,4-dioxaspiro[4.5]decane;2-[[5-(1,4-dioxaspiro[4.5]decan-8-ylidenemethyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane

8-(bromomethylidene)-1,4-dioxaspiro[4.5]decane;2-[[5-(1,4-dioxaspiro[4.5]decan-8-ylidenemethyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (PubChem CID 158493431) has the molecular formula C58H84BBrN8O8Si2 and a molecular weight of 1168.25 g/mol. Its IUPAC name is 8-(bromomethylidene)-1,4-dioxaspiro[4.5]decane;2-[[5-(1,4-dioxaspiro[4.5]decan-8-ylidenemethyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.

Molecular Properties

• Compound Name: 8-(bromomethylidene)-1,4-dioxaspiro[4.5]decane;2-[[5-(1,4-dioxaspiro[4.5]decan-8-ylidenemethyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
• PubChem CID: 158493431
• Molecular Formula: C58H84BBrN8O8Si2
• Molecular Weight: 1168.25 g/mol
• Exact Mass: 1166.52
• IUPAC Name: 8-(bromomethylidene)-1,4-dioxaspiro[4.5]decane;2-[[5-(1,4-dioxaspiro[4.5]decan-8-ylidenemethyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
• SMILES: BrC=C1CCC2(CC1)OCCO2.Cn1cc(-c2cn(COCC[Si](C)(C)C)c3ncc(B4OC(C)(C)C(C)(C)O4)cc23)cn1.Cn1cc(-c2cn(COCC[Si](C)(C)C)c3ncc(C=C4CCC5(CC4)OCCO5)cc23)cn1
• InChI: InChI=1S/C26H36N4O3Si.C23H35BN4O3Si.C9H13BrO2/c1-29-17-22(16-28-29)24-18-30(19-31-11-12-34(2,3)4)25-23(24)14-21(15-27-25)13-20-5-7-26(8-6-20)32-9-10-33-26;1-22(2)23(3,4)31-24(30-22)18-11-19-20(17-12-26-27(5)14-17)15-28(21(19)25-13-18)16-29-9-10-32(6,7)8;10-7-8-1-3-9(4-2-8)11-5-6-12-9/h13-18H,5-12,19H2,1-4H3;11-15H,9-10,16H2,1-8H3;7H,1-6H2
• InChIKey: HIZDPLWQSDKLRJ-UHFFFAOYSA-N
• XLogP: 12.08
• TPSA: 145.12 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1168.25
LogP ≤ 5	12.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

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 8-(bromomethylidene)-1,4-dioxaspiro[4.5]decane;2-[[5-(1,4-dioxaspiro[4.5]decan-8-ylidenemethyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?

The IUPAC name of 8-(bromomethylidene)-1,4-dioxaspiro[4.5]decane;2-[[5-(1,4-dioxaspiro[4.5]decan-8-ylidenemethyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (CID 158493431) is 8-(bromomethylidene)-1,4-dioxaspiro[4.5]decane;2-[[5-(1,4-dioxaspiro[4.5]decan-8-ylidenemethyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.

What is the SMILES notation for 8-(bromomethylidene)-1,4-dioxaspiro[4.5]decane;2-[[5-(1,4-dioxaspiro[4.5]decan-8-ylidenemethyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?

The canonical SMILES for 8-(bromomethylidene)-1,4-dioxaspiro[4.5]decane;2-[[5-(1,4-dioxaspiro[4.5]decan-8-ylidenemethyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is BrC=C1CCC2(CC1)OCCO2.Cn1cc(-c2cn(COCC[Si](C)(C)C)c3ncc(B4OC(C)(C)C(C)(C)O4)cc23)cn1.Cn1cc(-c2cn(COCC[Si](C)(C)C)c3ncc(C=C4CCC5(CC4)OCCO5)cc23)cn1.

What is the InChIKey of 8-(bromomethylidene)-1,4-dioxaspiro[4.5]decane;2-[[5-(1,4-dioxaspiro[4.5]decan-8-ylidenemethyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?

The InChIKey is HIZDPLWQSDKLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O3Si.C23H35BN4O3Si.C9H13BrO2/c1-29-17-22(16-28-29)24-18-30(19-31-11-12-34(2,3)4)25-23(24)14-21(15-27-25)13-20-5-7-26(8-6-20)32-9-10-33-26;1-22(2)23(3,4)31-24(30-22)18-11-19-20(17-12-26-27(5)14-17)15-28(21(19)25-13-18)16-29-9-10-32(6,7)8;10-7-8-1-3-9(4-2-8)11-5-6-12-9/h13-18H,5-12,19H2,1-4H3;11-15H,9-10,16H2,1-8H3;7H,1-6H2.

What are the key properties of 8-(bromomethylidene)-1,4-dioxaspiro[4.5]decane;2-[[5-(1,4-dioxaspiro[4.5]decan-8-ylidenemethyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?

8-(bromomethylidene)-1,4-dioxaspiro[4.5]decane;2-[[5-(1,4-dioxaspiro[4.5]decan-8-ylidenemethyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane has a molecular weight of 1168.25 g/mol, XLogP of 12.08, 14 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(bromomethylidene)-1,4-dioxaspiro[4.5]decane;2-[[5-(1,4-dioxaspiro[4.5]decan-8-ylidenemethyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 158493431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).