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

C42H52Br2N10O4Si2 — CID 159909132

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

5-bromo-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;2-[[5-bromo-3-[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 159909132) has the molecular formula C42H52Br2N10O4Si2 and a molecular weight of 976.92 g/mol. Its IUPAC name is 5-bromo-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;2-[[5-bromo-3-[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 5-bromo-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;2-[[5-bromo-3-[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 159909132
• Molecular Formula: C42H52Br2N10O4Si2
• Molecular Weight: 976.92 g/mol
• Exact Mass: 974.21
• IUPAC Name: 5-bromo-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;2-[[5-bromo-3-[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: COCc1cccc2[nH]c(-c3[nH]nc4ncc(Br)cc34)nc12.COCc1cccc2c1nc(-c1nn(COCC[Si](C)(C)C)c3ncc(Br)cc13)n2COCC[Si](C)(C)C
• InChI: InChI=1S/C27H40BrN5O3Si2.C15H12BrN5O/c1-34-17-20-9-8-10-23-24(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;1-22-7-8-3-2-4-11-12(8)19-15(18-11)13-10-5-9(16)6-17-14(10)21-20-13/h8-10,15-16H,11-14,17-19H2,1-7H3;2-6H,7H2,1H3,(H,18,19)(H,17,20,21)
• InChIKey: NWYMOPJQCDLZSF-UHFFFAOYSA-N
• XLogP: 10.39
• TPSA: 155.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	976.92
LogP ≤ 5	10.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

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

The IUPAC name of 5-bromo-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;2-[[5-bromo-3-[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 159909132) is 5-bromo-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;2-[[5-bromo-3-[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

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

The canonical SMILES for 5-bromo-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;2-[[5-bromo-3-[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is COCc1cccc2[nH]c(-c3[nH]nc4ncc(Br)cc34)nc12.COCc1cccc2c1nc(-c1nn(COCC[Si](C)(C)C)c3ncc(Br)cc13)n2COCC[Si](C)(C)C.

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

The InChIKey is NWYMOPJQCDLZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40BrN5O3Si2.C15H12BrN5O/c1-34-17-20-9-8-10-23-24(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;1-22-7-8-3-2-4-11-12(8)19-15(18-11)13-10-5-9(16)6-17-14(10)21-20-13/h8-10,15-16H,11-14,17-19H2,1-7H3;2-6H,7H2,1H3,(H,18,19)(H,17,20,21).

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

5-bromo-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;2-[[5-bromo-3-[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 976.92 g/mol, XLogP of 10.39, 16 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;2-[[5-bromo-3-[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 159909132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).