2-[[6-[5-(cyclopenten-1-yl)-3-[1-[[1-(oxan-2-yloxy)cyclopropyl]methyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane

C39H48N6O4Si — CID 164870902

About 2-[[6-[5-(cyclopenten-1-yl)-3-[1-[[1-(oxan-2-yloxy)cyclopropyl]methyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[6-[5-(cyclopenten-1-yl)-3-[1-[[1-(oxan-2-yloxy)cyclopropyl]methyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 164870902) has the molecular formula C39H48N6O4Si and a molecular weight of 692.94 g/mol. Its IUPAC name is 2-[[6-[5-(cyclopenten-1-yl)-3-[1-[[1-(oxan-2-yloxy)cyclopropyl]methyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[6-[5-(cyclopenten-1-yl)-3-[1-[[1-(oxan-2-yloxy)cyclopropyl]methyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 164870902
• Molecular Formula: C39H48N6O4Si
• Molecular Weight: 692.94 g/mol
• Exact Mass: 692.35
• IUPAC Name: 2-[[6-[5-(cyclopenten-1-yl)-3-[1-[[1-(oxan-2-yloxy)cyclopropyl]methyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: Cc1nc2ccc(Oc3ccc4ncc(-c5cnn(CC6(OC7CCCCO7)CC6)c5)nc4c3C3=CCCC3)cc2n1COCC[Si](C)(C)C
• InChI: InChI=1S/C39H48N6O4Si/c1-27-42-31-13-12-30(21-34(31)45(27)26-46-19-20-50(2,3)4)48-35-15-14-32-38(37(35)28-9-5-6-10-28)43-33(23-40-32)29-22-41-44(24-29)25-39(16-17-39)49-36-11-7-8-18-47-36/h9,12-15,21-24,36H,5-8,10-11,16-20,25-26H2,1-4H3
• InChIKey: XZCYVYYVPOMWNE-UHFFFAOYSA-N
• XLogP: 8.90
• TPSA: 98.34 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	692.94
LogP ≤ 5	8.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

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-[5-(cyclopenten-1-yl)-3-[1-[[1-(oxan-2-yloxy)cyclopropyl]methyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[6-[5-(cyclopenten-1-yl)-3-[1-[[1-(oxan-2-yloxy)cyclopropyl]methyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 164870902) is 2-[[6-[5-(cyclopenten-1-yl)-3-[1-[[1-(oxan-2-yloxy)cyclopropyl]methyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[[6-[5-(cyclopenten-1-yl)-3-[1-[[1-(oxan-2-yloxy)cyclopropyl]methyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[[6-[5-(cyclopenten-1-yl)-3-[1-[[1-(oxan-2-yloxy)cyclopropyl]methyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane is Cc1nc2ccc(Oc3ccc4ncc(-c5cnn(CC6(OC7CCCCO7)CC6)c5)nc4c3C3=CCCC3)cc2n1COCC[Si](C)(C)C.

What is the InChIKey of 2-[[6-[5-(cyclopenten-1-yl)-3-[1-[[1-(oxan-2-yloxy)cyclopropyl]methyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is XZCYVYYVPOMWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H48N6O4Si/c1-27-42-31-13-12-30(21-34(31)45(27)26-46-19-20-50(2,3)4)48-35-15-14-32-38(37(35)28-9-5-6-10-28)43-33(23-40-32)29-22-41-44(24-29)25-39(16-17-39)49-36-11-7-8-18-47-36/h9,12-15,21-24,36H,5-8,10-11,16-20,25-26H2,1-4H3.

What are the key properties of 2-[[6-[5-(cyclopenten-1-yl)-3-[1-[[1-(oxan-2-yloxy)cyclopropyl]methyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane?

2-[[6-[5-(cyclopenten-1-yl)-3-[1-[[1-(oxan-2-yloxy)cyclopropyl]methyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 692.94 g/mol, XLogP of 8.90, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-[5-(cyclopenten-1-yl)-3-[1-[[1-(oxan-2-yloxy)cyclopropyl]methyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 164870902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).