2-[[4-(methoxymethyl)-2-[5-(4-methyl-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane

C33H46N6O3Si2 — CID 68886956

About 2-[[4-(methoxymethyl)-2-[5-(4-methyl-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-(methoxymethyl)-2-[5-(4-methyl-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 68886956) has the molecular formula C33H46N6O3Si2 and a molecular weight of 630.94 g/mol. Its IUPAC name is 2-[[4-(methoxymethyl)-2-[5-(4-methyl-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[4-(methoxymethyl)-2-[5-(4-methyl-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 68886956
• Molecular Formula: C33H46N6O3Si2
• Molecular Weight: 630.94 g/mol
• Exact Mass: 630.32
• IUPAC Name: 2-[[4-(methoxymethyl)-2-[5-(4-methyl-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: COCc1cccc2c1nc(-c1nn(COCC[Si](C)(C)C)c3ncc(-c4cnccc4C)cc13)n2COCC[Si](C)(C)C
• InChI: InChI=1S/C33H46N6O3Si2/c1-24-12-13-34-20-28(24)26-18-27-31(37-39(32(27)35-19-26)23-42-15-17-44(6,7)8)33-36-30-25(21-40-2)10-9-11-29(30)38(33)22-41-14-16-43(3,4)5/h9-13,18-20H,14-17,21-23H2,1-8H3
• InChIKey: NVOOCCVNRZHKCV-UHFFFAOYSA-N
• XLogP: 7.59
• TPSA: 89.11 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	630.94
LogP ≤ 5	7.59
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-[[4-(methoxymethyl)-2-[5-(4-methyl-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[4-(methoxymethyl)-2-[5-(4-methyl-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 68886956) is 2-[[4-(methoxymethyl)-2-[5-(4-methyl-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[[4-(methoxymethyl)-2-[5-(4-methyl-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[[4-(methoxymethyl)-2-[5-(4-methyl-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane is COCc1cccc2c1nc(-c1nn(COCC[Si](C)(C)C)c3ncc(-c4cnccc4C)cc13)n2COCC[Si](C)(C)C.

What is the InChIKey of 2-[[4-(methoxymethyl)-2-[5-(4-methyl-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is NVOOCCVNRZHKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H46N6O3Si2/c1-24-12-13-34-20-28(24)26-18-27-31(37-39(32(27)35-19-26)23-42-15-17-44(6,7)8)33-36-30-25(21-40-2)10-9-11-29(30)38(33)22-41-14-16-43(3,4)5/h9-13,18-20H,14-17,21-23H2,1-8H3.

What are the key properties of 2-[[4-(methoxymethyl)-2-[5-(4-methyl-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane?

2-[[4-(methoxymethyl)-2-[5-(4-methyl-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 630.94 g/mol, XLogP of 7.59, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-(methoxymethyl)-2-[5-(4-methyl-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 68886956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).