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

C35H38ClFN8O2Si — CID 170562282

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

1-[[6-[5-chloro-3-[1-[1-(5-fluoro-3-pyridinyl)piperidin-4-yl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 170562282) has the molecular formula C35H38ClFN8O2Si and a molecular weight of 685.28 g/mol. Its IUPAC name is 1-[[6-[5-chloro-3-[1-[1-(5-fluoro-3-pyridinyl)piperidin-4-yl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 1-[[6-[5-chloro-3-[1-[1-(5-fluoro-3-pyridinyl)piperidin-4-yl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 170562282
• Molecular Formula: C35H38ClFN8O2Si
• Molecular Weight: 685.28 g/mol
• Exact Mass: 684.26
• IUPAC Name: 1-[[6-[5-chloro-3-[1-[1-(5-fluoro-3-pyridinyl)piperidin-4-yl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: Cc1nc2ccc(Oc3ccc4ncc(-c5cnn(C6CCN(c7cncc(F)c7)CC6)c5)nc4c3Cl)cc2n1COC(C)[Si](C)(C)C
• InChI: InChI=1S/C35H38ClFN8O2Si/c1-22-41-29-7-6-28(15-32(29)44(22)21-46-23(2)48(3,4)5)47-33-9-8-30-35(34(33)36)42-31(19-39-30)24-16-40-45(20-24)26-10-12-43(13-11-26)27-14-25(37)17-38-18-27/h6-9,14-20,23,26H,10-13,21H2,1-5H3
• InChIKey: HPNOEJKVCWDJAT-UHFFFAOYSA-N
• XLogP: 8.21
• TPSA: 96.01 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	685.28
LogP ≤ 5	8.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[[6-[5-chloro-3-[1-[1-(5-fluoro-3-pyridinyl)piperidin-4-yl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 1-[[6-[5-chloro-3-[1-[1-(5-fluoro-3-pyridinyl)piperidin-4-yl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 170562282) is 1-[[6-[5-chloro-3-[1-[1-(5-fluoro-3-pyridinyl)piperidin-4-yl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane.

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

The canonical SMILES for 1-[[6-[5-chloro-3-[1-[1-(5-fluoro-3-pyridinyl)piperidin-4-yl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane is Cc1nc2ccc(Oc3ccc4ncc(-c5cnn(C6CCN(c7cncc(F)c7)CC6)c5)nc4c3Cl)cc2n1COC(C)[Si](C)(C)C.

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

The InChIKey is HPNOEJKVCWDJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38ClFN8O2Si/c1-22-41-29-7-6-28(15-32(29)44(22)21-46-23(2)48(3,4)5)47-33-9-8-30-35(34(33)36)42-31(19-39-30)24-16-40-45(20-24)26-10-12-43(13-11-26)27-14-25(37)17-38-18-27/h6-9,14-20,23,26H,10-13,21H2,1-5H3.

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

1-[[6-[5-chloro-3-[1-[1-(5-fluoro-3-pyridinyl)piperidin-4-yl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 685.28 g/mol, XLogP of 8.21, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[6-[5-chloro-3-[1-[1-(5-fluoro-3-pyridinyl)piperidin-4-yl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 170562282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).