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

C67H90BBr3Cl3N23O9Si4 — CID 158164092

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

3-bromo-4-chloro-2H-pyrazolo[3,4-d]pyrimidine;2-[(3-bromo-4-chloropyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;2-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;4-methoxy-3-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidine;2-[(4-methoxy-3-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;pyridin-4-ylboronic acid (PubChem CID 158164092) has the molecular formula C67H90BBr3Cl3N23O9Si4 and a molecular weight of 1830.84 g/mol. Its IUPAC name is 3-bromo-4-chloro-2H-pyrazolo[3,4-d]pyrimidine;2-[(3-bromo-4-chloropyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;2-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;4-methoxy-3-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidine;2-[(4-methoxy-3-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;pyridin-4-ylboronic acid.

Molecular Properties

• Compound Name: 3-bromo-4-chloro-2H-pyrazolo[3,4-d]pyrimidine;2-[(3-bromo-4-chloropyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;2-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;4-methoxy-3-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidine;2-[(4-methoxy-3-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;pyridin-4-ylboronic acid
• PubChem CID: 158164092
• Molecular Formula: C67H90BBr3Cl3N23O9Si4
• Molecular Weight: 1830.84 g/mol
• Exact Mass: 1825.31
• IUPAC Name: 3-bromo-4-chloro-2H-pyrazolo[3,4-d]pyrimidine;2-[(3-bromo-4-chloropyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;2-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;4-methoxy-3-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidine;2-[(4-methoxy-3-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;pyridin-4-ylboronic acid
• SMILES: COc1ncnc2c1c(-c1ccncc1)nn2COCC[Si](C)(C)C.COc1ncnc2c1c(Br)nn2COCC[Si](C)(C)C.COc1ncnc2n[nH]c(-c3ccncc3)c12.C[Si](C)(C)CCOCCl.C[Si](C)(C)CCOCn1nc(Br)c2c(Cl)ncnc21.Clc1ncnc2n[nH]c(Br)c12.OB(O)c1ccncc1
• InChI: InChI=1S/C17H23N5O2Si.C12H19BrN4O2Si.C11H16BrClN4OSi.C11H9N5O.C6H15ClOSi.C5H6BNO2.C5H2BrClN4/c1-23-17-14-15(13-5-7-18-8-6-13)21-22(16(14)19-11-20-17)12-24-9-10-25(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;1-19(2,3)5-4-18-7-17-11-8(9(12)16-17)10(13)14-6-15-11;1-17-11-8-9(7-2-4-12-5-3-7)15-16-10(8)13-6-14-11;1-9(2,3)5-4-8-6-7;8-6(9)5-1-3-7-4-2-5;6-3-2-4(7)8-1-9-5(2)11-10-3/h5-8,11H,9-10,12H2,1-4H3;7H,5-6,8H2,1-4H3;6H,4-5,7H2,1-3H3;2-6H,1H3,(H,13,14,15,16);4-6H2,1-3H3;1-4,8-9H;1H,(H,8,9,10,11)
• InChIKey: FWQAZJZEIAXRCG-UHFFFAOYSA-N
• XLogP: 14.16
• TPSA: 383.46 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 25
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1830.84
LogP ≤ 5	14.16
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 3-bromo-4-chloro-2H-pyrazolo[3,4-d]pyrimidine;2-[(3-bromo-4-chloropyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;2-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;4-methoxy-3-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidine;2-[(4-methoxy-3-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;pyridin-4-ylboronic acid (CID 158164092) is 3-bromo-4-chloro-2H-pyrazolo[3,4-d]pyrimidine;2-[(3-bromo-4-chloropyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;2-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;4-methoxy-3-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidine;2-[(4-methoxy-3-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;pyridin-4-ylboronic acid.

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

The canonical SMILES for 3-bromo-4-chloro-2H-pyrazolo[3,4-d]pyrimidine;2-[(3-bromo-4-chloropyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;2-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;4-methoxy-3-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidine;2-[(4-methoxy-3-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;pyridin-4-ylboronic acid is COc1ncnc2c1c(-c1ccncc1)nn2COCC[Si](C)(C)C.COc1ncnc2c1c(Br)nn2COCC[Si](C)(C)C.COc1ncnc2n[nH]c(-c3ccncc3)c12.C[Si](C)(C)CCOCCl.C[Si](C)(C)CCOCn1nc(Br)c2c(Cl)ncnc21.Clc1ncnc2n[nH]c(Br)c12.OB(O)c1ccncc1.

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

The InChIKey is FWQAZJZEIAXRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2Si.C12H19BrN4O2Si.C11H16BrClN4OSi.C11H9N5O.C6H15ClOSi.C5H6BNO2.C5H2BrClN4/c1-23-17-14-15(13-5-7-18-8-6-13)21-22(16(14)19-11-20-17)12-24-9-10-25(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;1-19(2,3)5-4-18-7-17-11-8(9(12)16-17)10(13)14-6-15-11;1-17-11-8-9(7-2-4-12-5-3-7)15-16-10(8)13-6-14-11;1-9(2,3)5-4-8-6-7;8-6(9)5-1-3-7-4-2-5;6-3-2-4(7)8-1-9-5(2)11-10-3/h5-8,11H,9-10,12H2,1-4H3;7H,5-6,8H2,1-4H3;6H,4-5,7H2,1-3H3;2-6H,1H3,(H,13,14,15,16);4-6H2,1-3H3;1-4,8-9H;1H,(H,8,9,10,11).

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

3-bromo-4-chloro-2H-pyrazolo[3,4-d]pyrimidine;2-[(3-bromo-4-chloropyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;2-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;4-methoxy-3-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidine;2-[(4-methoxy-3-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;pyridin-4-ylboronic acid has a molecular weight of 1830.84 g/mol, XLogP of 14.16, 25 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-4-chloro-2H-pyrazolo[3,4-d]pyrimidine;2-[(3-bromo-4-chloropyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;2-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;4-methoxy-3-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidine;2-[(4-methoxy-3-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;pyridin-4-ylboronic acid is sourced from PubChem (CID 158164092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).