2-[[3-(6,7-dihydro-1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane

C32H36N6OSi — CID 135718580

About 2-[[3-(6,7-dihydro-1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[3-(6,7-dihydro-1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 135718580) has the molecular formula C32H36N6OSi and a molecular weight of 548.77 g/mol. Its IUPAC name is 2-[[3-(6,7-dihydro-1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[3-(6,7-dihydro-1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 135718580
• Molecular Formula: C32H36N6OSi
• Molecular Weight: 548.77 g/mol
• Exact Mass: 548.27
• IUPAC Name: 2-[[3-(6,7-dihydro-1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: CCc1c(-c2ccncc2)cncc1-c1ccc2c(c1)c(-c1nc3c([nH]1)CCC=C3)nn2COCC[Si](C)(C)C
• InChI: InChI=1S/C32H36N6OSi/c1-5-24-26(22-12-14-33-15-13-22)19-34-20-27(24)23-10-11-30-25(18-23)31(32-35-28-8-6-7-9-29(28)36-32)37-38(30)21-39-16-17-40(2,3)4/h6,8,10-15,18-20H,5,7,9,16-17,21H2,1-4H3,(H,35,36)
• InChIKey: GPAPOXCMBQQDCB-UHFFFAOYSA-N
• XLogP: 7.38
• TPSA: 81.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.77
LogP ≤ 5	7.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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-[[3-(6,7-dihydro-1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[3-(6,7-dihydro-1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 135718580) is 2-[[3-(6,7-dihydro-1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[[3-(6,7-dihydro-1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[[3-(6,7-dihydro-1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane is CCc1c(-c2ccncc2)cncc1-c1ccc2c(c1)c(-c1nc3c([nH]1)CCC=C3)nn2COCC[Si](C)(C)C.

What is the InChIKey of 2-[[3-(6,7-dihydro-1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is GPAPOXCMBQQDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N6OSi/c1-5-24-26(22-12-14-33-15-13-22)19-34-20-27(24)23-10-11-30-25(18-23)31(32-35-28-8-6-7-9-29(28)36-32)37-38(30)21-39-16-17-40(2,3)4/h6,8,10-15,18-20H,5,7,9,16-17,21H2,1-4H3,(H,35,36).

What are the key properties of 2-[[3-(6,7-dihydro-1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?

2-[[3-(6,7-dihydro-1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 548.77 g/mol, XLogP of 7.38, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-(6,7-dihydro-1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 135718580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).