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

C19H31BrN4OSi — CID 157362664

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

2-[[7-bromo-3-(4,4-dimethylpiperidin-1-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane (PubChem CID 157362664) has the molecular formula C19H31BrN4OSi and a molecular weight of 439.47 g/mol. Its IUPAC name is 2-[[7-bromo-3-(4,4-dimethylpiperidin-1-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[7-bromo-3-(4,4-dimethylpiperidin-1-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 157362664
• Molecular Formula: C19H31BrN4OSi
• Molecular Weight: 439.47 g/mol
• Exact Mass: 438.15
• IUPAC Name: 2-[[7-bromo-3-(4,4-dimethylpiperidin-1-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane
• SMILES: CC1(C)CCN(c2cnc3c(Br)cn(COCC[Si](C)(C)C)c3n2)CC1
• InChI: InChI=1S/C19H31BrN4OSi/c1-19(2)6-8-23(9-7-19)16-12-21-17-15(20)13-24(18(17)22-16)14-25-10-11-26(3,4)5/h12-13H,6-11,14H2,1-5H3
• InChIKey: BIUYCVIXTZAQRC-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 43.18 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.47
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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-bromo-3-(4,4-dimethylpiperidin-1-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[7-bromo-3-(4,4-dimethylpiperidin-1-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane (CID 157362664) is 2-[[7-bromo-3-(4,4-dimethylpiperidin-1-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane.

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

The canonical SMILES for 2-[[7-bromo-3-(4,4-dimethylpiperidin-1-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane is CC1(C)CCN(c2cnc3c(Br)cn(COCC[Si](C)(C)C)c3n2)CC1.

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

The InChIKey is BIUYCVIXTZAQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31BrN4OSi/c1-19(2)6-8-23(9-7-19)16-12-21-17-15(20)13-24(18(17)22-16)14-25-10-11-26(3,4)5/h12-13H,6-11,14H2,1-5H3.

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

2-[[7-bromo-3-(4,4-dimethylpiperidin-1-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 439.47 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[7-bromo-3-(4,4-dimethylpiperidin-1-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 157362664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).