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;2-[[5-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C52H74N8O6Si2 — CID 161223409

About 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;2-[[5-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

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;2-[[5-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 161223409) has the molecular formula C52H74N8O6Si2 and a molecular weight of 963.39 g/mol. Its IUPAC name is 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;2-[[5-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 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;2-[[5-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 161223409
• Molecular Formula: C52H74N8O6Si2
• Molecular Weight: 963.39 g/mol
• Exact Mass: 962.53
• IUPAC Name: 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;2-[[5-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: Cn1cc(-c2cn(COCC[Si](C)(C)C)c3ncc(C=C4CCC5(CC4)OCCO5)cc23)cn1.Cn1cc(-c2cn(COCC[Si](C)(C)C)c3ncc(CC4CCC5(CC4)OCCO5)cc23)cn1
• InChI: InChI=1S/C26H38N4O3Si.C26H36N4O3Si/c2*1-29-17-22(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/h14-18,20H,5-13,19H2,1-4H3;13-18H,5-12,19H2,1-4H3
• InChIKey: UXUSSWOCCADEMP-UHFFFAOYSA-N
• XLogP: 10.67
• TPSA: 126.66 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 15
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	963.39
LogP ≤ 5	10.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

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 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;2-[[5-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 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;2-[[5-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 161223409) is 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;2-[[5-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 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;2-[[5-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 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;2-[[5-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is Cn1cc(-c2cn(COCC[Si](C)(C)C)c3ncc(C=C4CCC5(CC4)OCCO5)cc23)cn1.Cn1cc(-c2cn(COCC[Si](C)(C)C)c3ncc(CC4CCC5(CC4)OCCO5)cc23)cn1.

What is the InChIKey of 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;2-[[5-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is UXUSSWOCCADEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O3Si.C26H36N4O3Si/c2*1-29-17-22(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/h14-18,20H,5-13,19H2,1-4H3;13-18H,5-12,19H2,1-4H3.

What are the key properties of 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;2-[[5-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

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;2-[[5-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 963.39 g/mol, XLogP of 10.67, 15 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 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;2-[[5-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 161223409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).