2-[[6-bromo-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane

C24H38BrN5O2Si2 — CID 174065746

About 2-[[6-bromo-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[6-bromo-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 174065746) has the molecular formula C24H38BrN5O2Si2 and a molecular weight of 564.68 g/mol. Its IUPAC name is 2-[[6-bromo-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[6-bromo-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 174065746
• Molecular Formula: C24H38BrN5O2Si2
• Molecular Weight: 564.68 g/mol
• Exact Mass: 563.17
• IUPAC Name: 2-[[6-bromo-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: C[Si](C)(C)CCOCn1c(-c2nn(COCC[Si](C)(C)C)c3cc(Br)ccc23)nc2c1CNC2
• InChI: InChI=1S/C24H38BrN5O2Si2/c1-33(2,3)11-9-31-16-29-22-15-26-14-20(22)27-24(29)23-19-8-7-18(25)13-21(19)30(28-23)17-32-10-12-34(4,5)6/h7-8,13,26H,9-12,14-17H2,1-6H3
• InChIKey: NUPXRPGEEJETNT-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 66.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.68
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	1
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 2-[[6-bromo-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[6-bromo-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 174065746) is 2-[[6-bromo-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[[6-bromo-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[[6-bromo-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1c(-c2nn(COCC[Si](C)(C)C)c3cc(Br)ccc23)nc2c1CNC2.

What is the InChIKey of 2-[[6-bromo-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is NUPXRPGEEJETNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38BrN5O2Si2/c1-33(2,3)11-9-31-16-29-22-15-26-14-20(22)27-24(29)23-19-8-7-18(25)13-21(19)30(28-23)17-32-10-12-34(4,5)6/h7-8,13,26H,9-12,14-17H2,1-6H3.

What are the key properties of 2-[[6-bromo-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane?

2-[[6-bromo-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 564.68 g/mol, XLogP of 5.89, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-bromo-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 174065746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).