2-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;4-methoxy-3-pyridin-3-yl-2H-pyrazolo[3,4-d]pyrimidine;2-[(4-methoxy-3-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;pyridin-3-ylboronic acid

C45H57BBrN15O7Si2 — CID 161289558

About 2-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;4-methoxy-3-pyridin-3-yl-2H-pyrazolo[3,4-d]pyrimidine;2-[(4-methoxy-3-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;pyridin-3-ylboronic acid

2-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;4-methoxy-3-pyridin-3-yl-2H-pyrazolo[3,4-d]pyrimidine;2-[(4-methoxy-3-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;pyridin-3-ylboronic acid (PubChem CID 161289558) has the molecular formula C45H57BBrN15O7Si2 and a molecular weight of 1066.94 g/mol. Its IUPAC name is 2-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;4-methoxy-3-pyridin-3-yl-2H-pyrazolo[3,4-d]pyrimidine;2-[(4-methoxy-3-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;pyridin-3-ylboronic acid.

Molecular Properties

• Compound Name: 2-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;4-methoxy-3-pyridin-3-yl-2H-pyrazolo[3,4-d]pyrimidine;2-[(4-methoxy-3-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;pyridin-3-ylboronic acid
• PubChem CID: 161289558
• Molecular Formula: C45H57BBrN15O7Si2
• Molecular Weight: 1066.94 g/mol
• Exact Mass: 1065.34
• IUPAC Name: 2-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;4-methoxy-3-pyridin-3-yl-2H-pyrazolo[3,4-d]pyrimidine;2-[(4-methoxy-3-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;pyridin-3-ylboronic acid
• SMILES: COc1ncnc2c1c(-c1cccnc1)nn2COCC[Si](C)(C)C.COc1ncnc2c1c(Br)nn2COCC[Si](C)(C)C.COc1ncnc2n[nH]c(-c3cccnc3)c12.OB(O)c1cccnc1
• InChI: InChI=1S/C17H23N5O2Si.C12H19BrN4O2Si.C11H9N5O.C5H6BNO2/c1-23-17-14-15(13-6-5-7-18-10-13)21-22(16(14)19-11-20-17)12-24-8-9-25(2,3)4;1-18-12-9-10(13)16-17(11(9)14-7-15-12)8-19-5-6-20(2,3)4;1-17-11-8-9(7-3-2-4-12-5-7)15-16-10(8)13-6-14-11;8-6(9)5-2-1-3-7-4-5/h5-7,10-11H,8-9,12H2,1-4H3;7H,5-6,8H2,1-4H3;2-6H,1H3,(H,13,14,15,16);1-4,8-9H
• InChIKey: VGEBJLSBBMBZAA-UHFFFAOYSA-N
• XLogP: 6.30
• TPSA: 266.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 16
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1066.94
LogP ≤ 5	6.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

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-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;4-methoxy-3-pyridin-3-yl-2H-pyrazolo[3,4-d]pyrimidine;2-[(4-methoxy-3-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;pyridin-3-ylboronic acid?

The IUPAC name of 2-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;4-methoxy-3-pyridin-3-yl-2H-pyrazolo[3,4-d]pyrimidine;2-[(4-methoxy-3-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;pyridin-3-ylboronic acid (CID 161289558) is 2-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;4-methoxy-3-pyridin-3-yl-2H-pyrazolo[3,4-d]pyrimidine;2-[(4-methoxy-3-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;pyridin-3-ylboronic acid.

What is the SMILES notation for 2-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;4-methoxy-3-pyridin-3-yl-2H-pyrazolo[3,4-d]pyrimidine;2-[(4-methoxy-3-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;pyridin-3-ylboronic acid?

The canonical SMILES for 2-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;4-methoxy-3-pyridin-3-yl-2H-pyrazolo[3,4-d]pyrimidine;2-[(4-methoxy-3-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;pyridin-3-ylboronic acid is COc1ncnc2c1c(-c1cccnc1)nn2COCC[Si](C)(C)C.COc1ncnc2c1c(Br)nn2COCC[Si](C)(C)C.COc1ncnc2n[nH]c(-c3cccnc3)c12.OB(O)c1cccnc1.

What is the InChIKey of 2-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;4-methoxy-3-pyridin-3-yl-2H-pyrazolo[3,4-d]pyrimidine;2-[(4-methoxy-3-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;pyridin-3-ylboronic acid?

The InChIKey is VGEBJLSBBMBZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2Si.C12H19BrN4O2Si.C11H9N5O.C5H6BNO2/c1-23-17-14-15(13-6-5-7-18-10-13)21-22(16(14)19-11-20-17)12-24-8-9-25(2,3)4;1-18-12-9-10(13)16-17(11(9)14-7-15-12)8-19-5-6-20(2,3)4;1-17-11-8-9(7-3-2-4-12-5-7)15-16-10(8)13-6-14-11;8-6(9)5-2-1-3-7-4-5/h5-7,10-11H,8-9,12H2,1-4H3;7H,5-6,8H2,1-4H3;2-6H,1H3,(H,13,14,15,16);1-4,8-9H.

What are the key properties of 2-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;4-methoxy-3-pyridin-3-yl-2H-pyrazolo[3,4-d]pyrimidine;2-[(4-methoxy-3-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;pyridin-3-ylboronic acid?

2-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;4-methoxy-3-pyridin-3-yl-2H-pyrazolo[3,4-d]pyrimidine;2-[(4-methoxy-3-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;pyridin-3-ylboronic acid has a molecular weight of 1066.94 g/mol, XLogP of 6.30, 16 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;4-methoxy-3-pyridin-3-yl-2H-pyrazolo[3,4-d]pyrimidine;2-[(4-methoxy-3-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;pyridin-3-ylboronic acid is sourced from PubChem (CID 161289558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).