2-[[5-bromo-3-[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-(methoxymethyl)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C72H116B3BrN10O12Si4 — CID 159212947

About 2-[[5-bromo-3-[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-(methoxymethyl)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

2-[[5-bromo-3-[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-(methoxymethyl)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 159212947) has the molecular formula C72H116B3BrN10O12Si4 and a molecular weight of 1538.46 g/mol. Its IUPAC name is 2-[[5-bromo-3-[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-(methoxymethyl)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 2-[[5-bromo-3-[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-(methoxymethyl)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 159212947
• Molecular Formula: C72H116B3BrN10O12Si4
• Molecular Weight: 1538.46 g/mol
• Exact Mass: 1536.73
• IUPAC Name: 2-[[5-bromo-3-[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-(methoxymethyl)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.COCc1cccc2c1nc(-c1nn(COCC[Si](C)(C)C)c3ncc(B4OC(C)(C)C(C)(C)O4)cc13)n2COCC[Si](C)(C)C.COCc1cccc2c1nc(-c1nn(COCC[Si](C)(C)C)c3ncc(Br)cc13)n2COCC[Si](C)(C)C
• InChI: InChI=1S/C33H52BN5O5Si2.C27H40BrN5O3Si2.C12H24B2O4/c1-32(2)33(3,4)44-34(43-32)25-19-26-29(37-39(30(26)35-20-25)23-42-16-18-46(9,10)11)31-36-28-24(21-40-5)13-12-14-27(28)38(31)22-41-15-17-45(6,7)8;1-34-17-20-9-8-10-23-24(20)30-27(32(23)18-35-11-13-37(2,3)4)25-22-15-21(28)16-29-26(22)33(31-25)19-36-12-14-38(5,6)7;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h12-14,19-20H,15-18,21-23H2,1-11H3;8-10,15-16H,11-14,17-19H2,1-7H3;1-8H3
• InChIKey: KQSMLDCTIILQPK-UHFFFAOYSA-N
• XLogP: 15.75
• TPSA: 207.82 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 28
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1538.46
LogP ≤ 5	15.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

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-[[5-bromo-3-[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-(methoxymethyl)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 2-[[5-bromo-3-[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-(methoxymethyl)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 159212947) is 2-[[5-bromo-3-[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-(methoxymethyl)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

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

The canonical SMILES for 2-[[5-bromo-3-[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-(methoxymethyl)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.COCc1cccc2c1nc(-c1nn(COCC[Si](C)(C)C)c3ncc(B4OC(C)(C)C(C)(C)O4)cc13)n2COCC[Si](C)(C)C.COCc1cccc2c1nc(-c1nn(COCC[Si](C)(C)C)c3ncc(Br)cc13)n2COCC[Si](C)(C)C.

What is the InChIKey of 2-[[5-bromo-3-[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-(methoxymethyl)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is KQSMLDCTIILQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H52BN5O5Si2.C27H40BrN5O3Si2.C12H24B2O4/c1-32(2)33(3,4)44-34(43-32)25-19-26-29(37-39(30(26)35-20-25)23-42-16-18-46(9,10)11)31-36-28-24(21-40-5)13-12-14-27(28)38(31)22-41-15-17-45(6,7)8;1-34-17-20-9-8-10-23-24(20)30-27(32(23)18-35-11-13-37(2,3)4)25-22-15-21(28)16-29-26(22)33(31-25)19-36-12-14-38(5,6)7;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h12-14,19-20H,15-18,21-23H2,1-11H3;8-10,15-16H,11-14,17-19H2,1-7H3;1-8H3.

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

2-[[5-bromo-3-[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-(methoxymethyl)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 1538.46 g/mol, XLogP of 15.75, 28 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-bromo-3-[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-(methoxymethyl)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 159212947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).