(3-bromophenyl)-(3-methyl-2-pyridinyl)methanol;2-ethoxyethyl(trimethyl)silane;[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-(3-methyl-2-pyridinyl)methanol;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-(3-methyl-2-pyridinyl)methanol

C₁₀₃H₁₂₄BBrN₁₂O₁₁Si₃ — CID 158714107

About (3-bromophenyl)-(3-methyl-2-pyridinyl)methanol;2-ethoxyethyl(trimethyl)silane;[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-(3-methyl-2-pyridinyl)methanol;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-(3-methyl-2-pyridinyl)methanol

(3-bromophenyl)-(3-methyl-2-pyridinyl)methanol;2-ethoxyethyl(trimethyl)silane;[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-(3-methyl-2-pyridinyl)methanol;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-(3-methyl-2-pyridinyl)methanol (PubChem CID 158714107) has the molecular formula C₁₀₃H₁₂₄BBrN₁₂O₁₁Si₃ and a molecular weight of 1881.17 g/mol. Its IUPAC name is (3-bromophenyl)-(3-methyl-2-pyridinyl)methanol;2-ethoxyethyl(trimethyl)silane;[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-(3-methyl-2-pyridinyl)methanol;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-(3-methyl-2-pyridinyl)methanol.

Molecular Properties

• Compound Name: (3-bromophenyl)-(3-methyl-2-pyridinyl)methanol;2-ethoxyethyl(trimethyl)silane;[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-(3-methyl-2-pyridinyl)methanol;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-(3-methyl-2-pyridinyl)methanol
• PubChem CID: 158714107
• Molecular Formula: C₁₀₃H₁₂₄BBrN₁₂O₁₁Si₃
• Molecular Weight: 1881.17 g/mol
• Exact Mass: 1878.81
• IUPAC Name: (3-bromophenyl)-(3-methyl-2-pyridinyl)methanol;2-ethoxyethyl(trimethyl)silane;[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-(3-methyl-2-pyridinyl)methanol;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-(3-methyl-2-pyridinyl)methanol
• SMILES: CCOCC[Si](C)(C)C.COc1ccccc1-c1[nH]nc2ncc(-c3cccc(C(O)c4ncccc4C)c3)cc12.COc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cccc(C(O)c4ncccc4C)c3)cc12.COc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(B3OC(C)(C)C(C)(C)O3)cc12.Cc1cccnc1C(O)c1cccc(Br)c1
• InChI: InChI=1S/C32H36N4O3Si.C26H22N4O2.C25H36BN3O4Si.C13H12BrNO.C7H18OSi/c1-22-10-9-15-33-29(22)31(37)24-12-8-11-23(18-24)25-19-27-30(26-13-6-7-14-28(26)38-2)35-36(32(27)34-20-25)21-39-16-17-40(3,4)5;1-16-7-6-12-27-23(16)25(31)18-9-5-8-17(13-18)19-14-21-24(29-30-26(21)28-15-19)20-10-3-4-11-22(20)32-2;1-24(2)25(3,4)33-26(32-24)18-15-20-22(19-11-9-10-12-21(19)30-5)28-29(23(20)27-16-18)17-31-13-14-34(6,7)8;1-9-4-3-7-15-12(9)13(16)10-5-2-6-11(14)8-10;1-5-8-6-7-9(2,3)4/h6-15,18-20,31,37H,16-17,21H2,1-5H3;3-15,25,31H,1-2H3,(H,28,29,30);9-12,15-16H,13-14,17H2,1-8H3;2-8,13,16H,1H3;5-7H2,1-4H3
• InChIKey: IJCBNYGGETZSTP-UHFFFAOYSA-N
• XLogP: 22.27
• TPSA: 276.19 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 29
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1881.17
LogP ≤ 5	22.27
H-Bond Donors ≤ 5	4
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 (3-bromophenyl)-(3-methyl-2-pyridinyl)methanol;2-ethoxyethyl(trimethyl)silane;[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-(3-methyl-2-pyridinyl)methanol;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-(3-methyl-2-pyridinyl)methanol?

The IUPAC name of (3-bromophenyl)-(3-methyl-2-pyridinyl)methanol;2-ethoxyethyl(trimethyl)silane;[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-(3-methyl-2-pyridinyl)methanol;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-(3-methyl-2-pyridinyl)methanol (CID 158714107) is (3-bromophenyl)-(3-methyl-2-pyridinyl)methanol;2-ethoxyethyl(trimethyl)silane;[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-(3-methyl-2-pyridinyl)methanol;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-(3-methyl-2-pyridinyl)methanol.

What is the SMILES notation for (3-bromophenyl)-(3-methyl-2-pyridinyl)methanol;2-ethoxyethyl(trimethyl)silane;[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-(3-methyl-2-pyridinyl)methanol;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-(3-methyl-2-pyridinyl)methanol?

The canonical SMILES for (3-bromophenyl)-(3-methyl-2-pyridinyl)methanol;2-ethoxyethyl(trimethyl)silane;[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-(3-methyl-2-pyridinyl)methanol;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-(3-methyl-2-pyridinyl)methanol is CCOCC[Si](C)(C)C.COc1ccccc1-c1[nH]nc2ncc(-c3cccc(C(O)c4ncccc4C)c3)cc12.COc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cccc(C(O)c4ncccc4C)c3)cc12.COc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(B3OC(C)(C)C(C)(C)O3)cc12.Cc1cccnc1C(O)c1cccc(Br)c1.

What is the InChIKey of (3-bromophenyl)-(3-methyl-2-pyridinyl)methanol;2-ethoxyethyl(trimethyl)silane;[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-(3-methyl-2-pyridinyl)methanol;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-(3-methyl-2-pyridinyl)methanol?

The InChIKey is IJCBNYGGETZSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N4O3Si.C26H22N4O2.C25H36BN3O4Si.C13H12BrNO.C7H18OSi/c1-22-10-9-15-33-29(22)31(37)24-12-8-11-23(18-24)25-19-27-30(26-13-6-7-14-28(26)38-2)35-36(32(27)34-20-25)21-39-16-17-40(3,4)5;1-16-7-6-12-27-23(16)25(31)18-9-5-8-17(13-18)19-14-21-24(29-30-26(21)28-15-19)20-10-3-4-11-22(20)32-2;1-24(2)25(3,4)33-26(32-24)18-15-20-22(19-11-9-10-12-21(19)30-5)28-29(23(20)27-16-18)17-31-13-14-34(6,7)8;1-9-4-3-7-15-12(9)13(16)10-5-2-6-11(14)8-10;1-5-8-6-7-9(2,3)4/h6-15,18-20,31,37H,16-17,21H2,1-5H3;3-15,25,31H,1-2H3,(H,28,29,30);9-12,15-16H,13-14,17H2,1-8H3;2-8,13,16H,1H3;5-7H2,1-4H3.

What are the key properties of (3-bromophenyl)-(3-methyl-2-pyridinyl)methanol;2-ethoxyethyl(trimethyl)silane;[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-(3-methyl-2-pyridinyl)methanol;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-(3-methyl-2-pyridinyl)methanol?

(3-bromophenyl)-(3-methyl-2-pyridinyl)methanol;2-ethoxyethyl(trimethyl)silane;[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-(3-methyl-2-pyridinyl)methanol;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-(3-methyl-2-pyridinyl)methanol has a molecular weight of 1881.17 g/mol, XLogP of 22.27, 29 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (3-bromophenyl)-(3-methyl-2-pyridinyl)methanol;2-ethoxyethyl(trimethyl)silane;[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-(3-methyl-2-pyridinyl)methanol;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-(3-methyl-2-pyridinyl)methanol is sourced from PubChem (CID 158714107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158714107 — identifiers, structure, computed properties (public domain)

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