2-[[6-[5-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]oxy-7-fluoro-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane

C30H34ClFN6O3Si — CID 164870518

About 2-[[6-[5-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]oxy-7-fluoro-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[6-[5-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]oxy-7-fluoro-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 164870518) has the molecular formula C30H34ClFN6O3Si and a molecular weight of 609.18 g/mol. Its IUPAC name is 2-[[6-[5-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]oxy-7-fluoro-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[6-[5-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]oxy-7-fluoro-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 164870518
• Molecular Formula: C30H34ClFN6O3Si
• Molecular Weight: 609.18 g/mol
• Exact Mass: 608.21
• IUPAC Name: 2-[[6-[5-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]oxy-7-fluoro-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: Cc1nc2ccc(Oc3ccc4ncc(-c5cnn(C6CCCCO6)c5)nc4c3Cl)c(F)c2n1COCC[Si](C)(C)C
• InChI: InChI=1S/C30H34ClFN6O3Si/c1-19-35-22-9-11-25(28(32)30(22)37(19)18-39-13-14-42(2,3)4)41-24-10-8-21-29(27(24)31)36-23(16-33-21)20-15-34-38(17-20)26-7-5-6-12-40-26/h8-11,15-17,26H,5-7,12-14,18H2,1-4H3
• InChIKey: WODUFXBYAGCAPQ-UHFFFAOYSA-N
• XLogP: 7.75
• TPSA: 89.11 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	609.18
LogP ≤ 5	7.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

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-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]oxy-7-fluoro-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[6-[5-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]oxy-7-fluoro-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 164870518) is 2-[[6-[5-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]oxy-7-fluoro-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[[6-[5-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]oxy-7-fluoro-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[[6-[5-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]oxy-7-fluoro-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane is Cc1nc2ccc(Oc3ccc4ncc(-c5cnn(C6CCCCO6)c5)nc4c3Cl)c(F)c2n1COCC[Si](C)(C)C.

What is the InChIKey of 2-[[6-[5-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]oxy-7-fluoro-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is WODUFXBYAGCAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34ClFN6O3Si/c1-19-35-22-9-11-25(28(32)30(22)37(19)18-39-13-14-42(2,3)4)41-24-10-8-21-29(27(24)31)36-23(16-33-21)20-15-34-38(17-20)26-7-5-6-12-40-26/h8-11,15-17,26H,5-7,12-14,18H2,1-4H3.

What are the key properties of 2-[[6-[5-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]oxy-7-fluoro-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane?

2-[[6-[5-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]oxy-7-fluoro-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 609.18 g/mol, XLogP of 7.75, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-[5-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]oxy-7-fluoro-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 164870518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).