3-bromo-4-chloro-2H-pyrazolo[3,4-d]pyrimidine;3-bromo-4-methoxy-2H-pyrazolo[3,4-d]pyrimidine;2-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;4-(4-methoxy-2H-pyrazolo[3,4-d]pyrimidin-3-yl)pyridin-2-amine;4-[4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-3-yl]pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

C62H77BBr3ClN26O8Si2 — CID 160907716

About 3-bromo-4-chloro-2H-pyrazolo[3,4-d]pyrimidine;3-bromo-4-methoxy-2H-pyrazolo[3,4-d]pyrimidine;2-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;4-(4-methoxy-2H-pyrazolo[3,4-d]pyrimidin-3-yl)pyridin-2-amine;4-[4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-3-yl]pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

3-bromo-4-chloro-2H-pyrazolo[3,4-d]pyrimidine;3-bromo-4-methoxy-2H-pyrazolo[3,4-d]pyrimidine;2-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;4-(4-methoxy-2H-pyrazolo[3,4-d]pyrimidin-3-yl)pyridin-2-amine;4-[4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-3-yl]pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (PubChem CID 160907716) has the molecular formula C62H77BBr3ClN26O8Si2 and a molecular weight of 1656.62 g/mol. Its IUPAC name is 3-bromo-4-chloro-2H-pyrazolo[3,4-d]pyrimidine;3-bromo-4-methoxy-2H-pyrazolo[3,4-d]pyrimidine;2-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;4-(4-methoxy-2H-pyrazolo[3,4-d]pyrimidin-3-yl)pyridin-2-amine;4-[4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-3-yl]pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: 3-bromo-4-chloro-2H-pyrazolo[3,4-d]pyrimidine;3-bromo-4-methoxy-2H-pyrazolo[3,4-d]pyrimidine;2-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;4-(4-methoxy-2H-pyrazolo[3,4-d]pyrimidin-3-yl)pyridin-2-amine;4-[4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-3-yl]pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• PubChem CID: 160907716
• Molecular Formula: C62H77BBr3ClN26O8Si2
• Molecular Weight: 1656.62 g/mol
• Exact Mass: 1652.33
• IUPAC Name: 3-bromo-4-chloro-2H-pyrazolo[3,4-d]pyrimidine;3-bromo-4-methoxy-2H-pyrazolo[3,4-d]pyrimidine;2-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;4-(4-methoxy-2H-pyrazolo[3,4-d]pyrimidin-3-yl)pyridin-2-amine;4-[4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-3-yl]pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• SMILES: CC1(C)OB(c2ccc(N)nc2)OC1(C)C.COc1ncnc2c1c(-c1ccnc(N)c1)nn2COCC[Si](C)(C)C.COc1ncnc2c1c(Br)nn2COCC[Si](C)(C)C.COc1ncnc2n[nH]c(-c3ccnc(N)c3)c12.COc1ncnc2n[nH]c(Br)c12.Clc1ncnc2n[nH]c(Br)c12
• InChI: InChI=1S/C17H24N6O2Si.C12H19BrN4O2Si.C11H17BN2O2.C11H10N6O.C6H5BrN4O.C5H2BrClN4/c1-24-17-14-15(12-5-6-19-13(18)9-12)22-23(16(14)20-10-21-17)11-25-7-8-26(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;1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8;1-18-11-8-9(6-2-3-13-7(12)4-6)16-17-10(8)14-5-15-11;1-12-6-3-4(7)10-11-5(3)8-2-9-6;6-3-2-4(7)8-1-9-5(2)11-10-3/h5-6,9-10H,7-8,11H2,1-4H3,(H2,18,19);7H,5-6,8H2,1-4H3;5-7H,1-4H3,(H2,13,14);2-5H,1H3,(H2,12,13)(H,14,15,16,17);2H,1H3,(H,8,9,10,11);1H,(H,8,9,10,11)
• InChIKey: SQJCHUIQZRKXMB-UHFFFAOYSA-N
• XLogP: 10.56
• TPSA: 441.15 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 17
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1656.62
LogP ≤ 5	10.56
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

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 3-bromo-4-chloro-2H-pyrazolo[3,4-d]pyrimidine;3-bromo-4-methoxy-2H-pyrazolo[3,4-d]pyrimidine;2-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;4-(4-methoxy-2H-pyrazolo[3,4-d]pyrimidin-3-yl)pyridin-2-amine;4-[4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-3-yl]pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The IUPAC name of 3-bromo-4-chloro-2H-pyrazolo[3,4-d]pyrimidine;3-bromo-4-methoxy-2H-pyrazolo[3,4-d]pyrimidine;2-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;4-(4-methoxy-2H-pyrazolo[3,4-d]pyrimidin-3-yl)pyridin-2-amine;4-[4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-3-yl]pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (CID 160907716) is 3-bromo-4-chloro-2H-pyrazolo[3,4-d]pyrimidine;3-bromo-4-methoxy-2H-pyrazolo[3,4-d]pyrimidine;2-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;4-(4-methoxy-2H-pyrazolo[3,4-d]pyrimidin-3-yl)pyridin-2-amine;4-[4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-3-yl]pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

What is the SMILES notation for 3-bromo-4-chloro-2H-pyrazolo[3,4-d]pyrimidine;3-bromo-4-methoxy-2H-pyrazolo[3,4-d]pyrimidine;2-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;4-(4-methoxy-2H-pyrazolo[3,4-d]pyrimidin-3-yl)pyridin-2-amine;4-[4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-3-yl]pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The canonical SMILES for 3-bromo-4-chloro-2H-pyrazolo[3,4-d]pyrimidine;3-bromo-4-methoxy-2H-pyrazolo[3,4-d]pyrimidine;2-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;4-(4-methoxy-2H-pyrazolo[3,4-d]pyrimidin-3-yl)pyridin-2-amine;4-[4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-3-yl]pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is CC1(C)OB(c2ccc(N)nc2)OC1(C)C.COc1ncnc2c1c(-c1ccnc(N)c1)nn2COCC[Si](C)(C)C.COc1ncnc2c1c(Br)nn2COCC[Si](C)(C)C.COc1ncnc2n[nH]c(-c3ccnc(N)c3)c12.COc1ncnc2n[nH]c(Br)c12.Clc1ncnc2n[nH]c(Br)c12.

What is the InChIKey of 3-bromo-4-chloro-2H-pyrazolo[3,4-d]pyrimidine;3-bromo-4-methoxy-2H-pyrazolo[3,4-d]pyrimidine;2-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;4-(4-methoxy-2H-pyrazolo[3,4-d]pyrimidin-3-yl)pyridin-2-amine;4-[4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-3-yl]pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The InChIKey is SQJCHUIQZRKXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2Si.C12H19BrN4O2Si.C11H17BN2O2.C11H10N6O.C6H5BrN4O.C5H2BrClN4/c1-24-17-14-15(12-5-6-19-13(18)9-12)22-23(16(14)20-10-21-17)11-25-7-8-26(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;1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8;1-18-11-8-9(6-2-3-13-7(12)4-6)16-17-10(8)14-5-15-11;1-12-6-3-4(7)10-11-5(3)8-2-9-6;6-3-2-4(7)8-1-9-5(2)11-10-3/h5-6,9-10H,7-8,11H2,1-4H3,(H2,18,19);7H,5-6,8H2,1-4H3;5-7H,1-4H3,(H2,13,14);2-5H,1H3,(H2,12,13)(H,14,15,16,17);2H,1H3,(H,8,9,10,11);1H,(H,8,9,10,11).

What are the key properties of 3-bromo-4-chloro-2H-pyrazolo[3,4-d]pyrimidine;3-bromo-4-methoxy-2H-pyrazolo[3,4-d]pyrimidine;2-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;4-(4-methoxy-2H-pyrazolo[3,4-d]pyrimidin-3-yl)pyridin-2-amine;4-[4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-3-yl]pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

3-bromo-4-chloro-2H-pyrazolo[3,4-d]pyrimidine;3-bromo-4-methoxy-2H-pyrazolo[3,4-d]pyrimidine;2-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;4-(4-methoxy-2H-pyrazolo[3,4-d]pyrimidin-3-yl)pyridin-2-amine;4-[4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-3-yl]pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine has a molecular weight of 1656.62 g/mol, XLogP of 10.56, 17 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-4-chloro-2H-pyrazolo[3,4-d]pyrimidine;3-bromo-4-methoxy-2H-pyrazolo[3,4-d]pyrimidine;2-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;4-(4-methoxy-2H-pyrazolo[3,4-d]pyrimidin-3-yl)pyridin-2-amine;4-[4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-3-yl]pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is sourced from PubChem (CID 160907716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).