trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-spiro[1,3-dioxolane-2,7'-bicyclo[3.3.1]non-2-ene]-3'-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane

C28H38N4O3Si — CID 59238848

About trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-spiro[1,3-dioxolane-2,7'-bicyclo[3.3.1]non-2-ene]-3'-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-spiro[1,3-dioxolane-2,7'-bicyclo[3.3.1]non-2-ene]-3'-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (PubChem CID 59238848) has the molecular formula C28H38N4O3Si and a molecular weight of 506.72 g/mol. Its IUPAC name is trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-spiro[1,3-dioxolane-2,7'-bicyclo[3.3.1]non-2-ene]-3'-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.

Molecular Properties

• Compound Name: trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-spiro[1,3-dioxolane-2,7'-bicyclo[3.3.1]non-2-ene]-3'-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
• PubChem CID: 59238848
• Molecular Formula: C28H38N4O3Si
• Molecular Weight: 506.72 g/mol
• Exact Mass: 506.27
• IUPAC Name: trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-spiro[1,3-dioxolane-2,7'-bicyclo[3.3.1]non-2-ene]-3'-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
• SMILES: Cn1cc(-c2cn(COCC[Si](C)(C)C)c3ncc(C4=CC5CC(C4)CC4(C5)OCCO4)cc23)cn1
• InChI: InChI=1S/C28H38N4O3Si/c1-31-17-24(16-30-31)26-18-32(19-33-7-8-36(2,3)4)27-25(26)12-23(15-29-27)22-10-20-9-21(11-22)14-28(13-20)34-5-6-35-28/h10,12,15-18,20-21H,5-9,11,13-14,19H2,1-4H3
• InChIKey: WWBPEOZOGABEPO-UHFFFAOYSA-N
• XLogP: 5.70
• TPSA: 63.33 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.72
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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 trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-spiro[1,3-dioxolane-2,7'-bicyclo[3.3.1]non-2-ene]-3'-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?

The IUPAC name of trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-spiro[1,3-dioxolane-2,7'-bicyclo[3.3.1]non-2-ene]-3'-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (CID 59238848) is trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-spiro[1,3-dioxolane-2,7'-bicyclo[3.3.1]non-2-ene]-3'-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.

What is the SMILES notation for trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-spiro[1,3-dioxolane-2,7'-bicyclo[3.3.1]non-2-ene]-3'-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?

The canonical SMILES for trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-spiro[1,3-dioxolane-2,7'-bicyclo[3.3.1]non-2-ene]-3'-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is Cn1cc(-c2cn(COCC[Si](C)(C)C)c3ncc(C4=CC5CC(C4)CC4(C5)OCCO4)cc23)cn1.

What is the InChIKey of trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-spiro[1,3-dioxolane-2,7'-bicyclo[3.3.1]non-2-ene]-3'-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?

The InChIKey is WWBPEOZOGABEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O3Si/c1-31-17-24(16-30-31)26-18-32(19-33-7-8-36(2,3)4)27-25(26)12-23(15-29-27)22-10-20-9-21(11-22)14-28(13-20)34-5-6-35-28/h10,12,15-18,20-21H,5-9,11,13-14,19H2,1-4H3.

What are the key properties of trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-spiro[1,3-dioxolane-2,7'-bicyclo[3.3.1]non-2-ene]-3'-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?

trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-spiro[1,3-dioxolane-2,7'-bicyclo[3.3.1]non-2-ene]-3'-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane has a molecular weight of 506.72 g/mol, XLogP of 5.70, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-spiro[1,3-dioxolane-2,7'-bicyclo[3.3.1]non-2-ene]-3'-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 59238848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).