2-[[6-[1-[3-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane

C27H41N5O2Si — CID 158061393

About 2-[[6-[1-[3-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane

2-[[6-[1-[3-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane (PubChem CID 158061393) has the molecular formula C27H41N5O2Si and a molecular weight of 495.74 g/mol. Its IUPAC name is 2-[[6-[1-[3-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[6-[1-[3-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 158061393
• Molecular Formula: C27H41N5O2Si
• Molecular Weight: 495.74 g/mol
• Exact Mass: 495.30
• IUPAC Name: 2-[[6-[1-[3-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane
• SMILES: Cc1cc(OC2CCCN(C(C)c3cnc4c(c3)nc(C)n4COCC[Si](C)(C)C)C2)cc(C)n1
• InChI: InChI=1S/C27H41N5O2Si/c1-19-13-25(14-20(2)29-19)34-24-9-8-10-31(17-24)21(3)23-15-26-27(28-16-23)32(22(4)30-26)18-33-11-12-35(5,6)7/h13-16,21,24H,8-12,17-18H2,1-7H3
• InChIKey: FKRSLWQQUTWTKQ-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 65.30 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.74
LogP ≤ 5	5.67
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-[[6-[1-[3-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[6-[1-[3-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane (CID 158061393) is 2-[[6-[1-[3-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[[6-[1-[3-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[[6-[1-[3-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane is Cc1cc(OC2CCCN(C(C)c3cnc4c(c3)nc(C)n4COCC[Si](C)(C)C)C2)cc(C)n1.

What is the InChIKey of 2-[[6-[1-[3-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is FKRSLWQQUTWTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41N5O2Si/c1-19-13-25(14-20(2)29-19)34-24-9-8-10-31(17-24)21(3)23-15-26-27(28-16-23)32(22(4)30-26)18-33-11-12-35(5,6)7/h13-16,21,24H,8-12,17-18H2,1-7H3.

What are the key properties of 2-[[6-[1-[3-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane?

2-[[6-[1-[3-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 495.74 g/mol, XLogP of 5.67, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-[1-[3-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 158061393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).