2-[[7-(4-chloro-2-methyl-2H-benzimidazol-5-yl)-3-(4,4-dimethylpiperidin-1-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane

C27H37ClN6OSi — CID 158580861

About 2-[[7-(4-chloro-2-methyl-2H-benzimidazol-5-yl)-3-(4,4-dimethylpiperidin-1-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane

2-[[7-(4-chloro-2-methyl-2H-benzimidazol-5-yl)-3-(4,4-dimethylpiperidin-1-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane (PubChem CID 158580861) has the molecular formula C27H37ClN6OSi and a molecular weight of 525.17 g/mol. Its IUPAC name is 2-[[7-(4-chloro-2-methyl-2H-benzimidazol-5-yl)-3-(4,4-dimethylpiperidin-1-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[7-(4-chloro-2-methyl-2H-benzimidazol-5-yl)-3-(4,4-dimethylpiperidin-1-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 158580861
• Molecular Formula: C27H37ClN6OSi
• Molecular Weight: 525.17 g/mol
• Exact Mass: 524.25
• IUPAC Name: 2-[[7-(4-chloro-2-methyl-2H-benzimidazol-5-yl)-3-(4,4-dimethylpiperidin-1-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane
• SMILES: CC1N=c2ccc(-c3cn(COCC[Si](C)(C)C)c4nc(N5CCC(C)(C)CC5)cnc34)c(Cl)c2=N1
• InChI: InChI=1S/C27H37ClN6OSi/c1-18-30-21-8-7-19(23(28)25(21)31-18)20-16-34(17-35-13-14-36(4,5)6)26-24(20)29-15-22(32-26)33-11-9-27(2,3)10-12-33/h7-8,15-16,18H,9-14,17H2,1-6H3
• InChIKey: HTFWGTLSVULRKQ-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 67.90 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.17
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	0
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-[[7-(4-chloro-2-methyl-2H-benzimidazol-5-yl)-3-(4,4-dimethylpiperidin-1-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[7-(4-chloro-2-methyl-2H-benzimidazol-5-yl)-3-(4,4-dimethylpiperidin-1-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane (CID 158580861) is 2-[[7-(4-chloro-2-methyl-2H-benzimidazol-5-yl)-3-(4,4-dimethylpiperidin-1-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[[7-(4-chloro-2-methyl-2H-benzimidazol-5-yl)-3-(4,4-dimethylpiperidin-1-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[[7-(4-chloro-2-methyl-2H-benzimidazol-5-yl)-3-(4,4-dimethylpiperidin-1-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane is CC1N=c2ccc(-c3cn(COCC[Si](C)(C)C)c4nc(N5CCC(C)(C)CC5)cnc34)c(Cl)c2=N1.

What is the InChIKey of 2-[[7-(4-chloro-2-methyl-2H-benzimidazol-5-yl)-3-(4,4-dimethylpiperidin-1-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is HTFWGTLSVULRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37ClN6OSi/c1-18-30-21-8-7-19(23(28)25(21)31-18)20-16-34(17-35-13-14-36(4,5)6)26-24(20)29-15-22(32-26)33-11-9-27(2,3)10-12-33/h7-8,15-16,18H,9-14,17H2,1-6H3.

What are the key properties of 2-[[7-(4-chloro-2-methyl-2H-benzimidazol-5-yl)-3-(4,4-dimethylpiperidin-1-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane?

2-[[7-(4-chloro-2-methyl-2H-benzimidazol-5-yl)-3-(4,4-dimethylpiperidin-1-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 525.17 g/mol, XLogP of 5.29, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[7-(4-chloro-2-methyl-2H-benzimidazol-5-yl)-3-(4,4-dimethylpiperidin-1-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 158580861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).