3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazole;2-[[3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-3-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;bis(3-bromo-4-ethyl-5-pyridin-4-ylpyridine);3,5-dibromo-4-ethylpyridine;3,5-dibromopyridine;pyridin-4-ylboronic acid

C125H127B2Br6N23O6Si2 — CID 161018148

About 3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazole;2-[[3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-3-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;bis(3-bromo-4-ethyl-5-pyridin-4-ylpyridine);3,5-dibromo-4-ethylpyridine;3,5-dibromopyridine;pyridin-4-ylboronic acid

3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazole;2-[[3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-3-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;bis(3-bromo-4-ethyl-5-pyridin-4-ylpyridine);3,5-dibromo-4-ethylpyridine;3,5-dibromopyridine;pyridin-4-ylboronic acid (PubChem CID 161018148) has the molecular formula C125H127B2Br6N23O6Si2 and a molecular weight of 2604.77 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazole;2-[[3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-3-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;bis(3-bromo-4-ethyl-5-pyridin-4-ylpyridine);3,5-dibromo-4-ethylpyridine;3,5-dibromopyridine;pyridin-4-ylboronic acid.

Molecular Properties

• Compound Name: 3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazole;2-[[3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-3-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;bis(3-bromo-4-ethyl-5-pyridin-4-ylpyridine);3,5-dibromo-4-ethylpyridine;3,5-dibromopyridine;pyridin-4-ylboronic acid
• PubChem CID: 161018148
• Molecular Formula: C125H127B2Br6N23O6Si2
• Molecular Weight: 2604.77 g/mol
• Exact Mass: 2597.52
• IUPAC Name: 3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazole;2-[[3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-3-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;bis(3-bromo-4-ethyl-5-pyridin-4-ylpyridine);3,5-dibromo-4-ethylpyridine;3,5-dibromopyridine;pyridin-4-ylboronic acid
• SMILES: Brc1cncc(Br)c1.CC1(C)OB(c2ccc3c(c2)c(-c2nc4ccccc4[nH]2)nn3COCC[Si](C)(C)C)OC1(C)C.CCc1c(-c2cccnc2)cncc1-c1ccc2c(c1)c(-c1nc3ccccc3[nH]1)nn2COCC[Si](C)(C)C.CCc1c(-c2ccncc2)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1.CCc1c(Br)cncc1-c1ccncc1.CCc1c(Br)cncc1-c1ccncc1.CCc1c(Br)cncc1Br.OB(O)c1ccncc1
• InChI: InChI=1S/C32H34N6OSi.C26H35BN4O3Si.C26H20N6.2C12H11BrN2.C7H7Br2N.C5H6BNO2.C5H3Br2N/c1-5-24-26(19-34-20-27(24)23-9-8-14-33-18-23)22-12-13-30-25(17-22)31(32-35-28-10-6-7-11-29(28)36-32)37-38(30)21-39-15-16-40(2,3)4;1-25(2)26(3,4)34-27(33-25)18-12-13-22-19(16-18)23(24-28-20-10-8-9-11-21(20)29-24)30-31(22)17-32-14-15-35(5,6)7;1-2-18-20(16-9-11-27-12-10-16)14-28-15-21(18)17-7-8-22-19(13-17)25(32-31-22)26-29-23-5-3-4-6-24(23)30-26;2*1-2-10-11(7-15-8-12(10)13)9-3-5-14-6-4-9;1-2-5-6(8)3-10-4-7(5)9;8-6(9)5-1-3-7-4-2-5;6-4-1-5(7)3-8-2-4/h6-14,17-20H,5,15-16,21H2,1-4H3,(H,35,36);8-13,16H,14-15,17H2,1-7H3,(H,28,29);3-15H,2H2,1H3,(H,29,30)(H,31,32);2*3-8H,2H2,1H3;3-4H,2H2,1H3;1-4,8-9H;1-3H
• InChIKey: TXZQASPFGGCRBM-UHFFFAOYSA-N
• XLogP: 30.04
• TPSA: 369.53 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 26
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2604.77
LogP ≤ 5	30.04
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

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-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazole;2-[[3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-3-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;bis(3-bromo-4-ethyl-5-pyridin-4-ylpyridine);3,5-dibromo-4-ethylpyridine;3,5-dibromopyridine;pyridin-4-ylboronic acid?

The IUPAC name of 3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazole;2-[[3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-3-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;bis(3-bromo-4-ethyl-5-pyridin-4-ylpyridine);3,5-dibromo-4-ethylpyridine;3,5-dibromopyridine;pyridin-4-ylboronic acid (CID 161018148) is 3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazole;2-[[3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-3-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;bis(3-bromo-4-ethyl-5-pyridin-4-ylpyridine);3,5-dibromo-4-ethylpyridine;3,5-dibromopyridine;pyridin-4-ylboronic acid.

What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazole;2-[[3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-3-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;bis(3-bromo-4-ethyl-5-pyridin-4-ylpyridine);3,5-dibromo-4-ethylpyridine;3,5-dibromopyridine;pyridin-4-ylboronic acid?

The canonical SMILES for 3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazole;2-[[3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-3-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;bis(3-bromo-4-ethyl-5-pyridin-4-ylpyridine);3,5-dibromo-4-ethylpyridine;3,5-dibromopyridine;pyridin-4-ylboronic acid is Brc1cncc(Br)c1.CC1(C)OB(c2ccc3c(c2)c(-c2nc4ccccc4[nH]2)nn3COCC[Si](C)(C)C)OC1(C)C.CCc1c(-c2cccnc2)cncc1-c1ccc2c(c1)c(-c1nc3ccccc3[nH]1)nn2COCC[Si](C)(C)C.CCc1c(-c2ccncc2)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1.CCc1c(Br)cncc1-c1ccncc1.CCc1c(Br)cncc1-c1ccncc1.CCc1c(Br)cncc1Br.OB(O)c1ccncc1.

What is the InChIKey of 3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazole;2-[[3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-3-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;bis(3-bromo-4-ethyl-5-pyridin-4-ylpyridine);3,5-dibromo-4-ethylpyridine;3,5-dibromopyridine;pyridin-4-ylboronic acid?

The InChIKey is TXZQASPFGGCRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N6OSi.C26H35BN4O3Si.C26H20N6.2C12H11BrN2.C7H7Br2N.C5H6BNO2.C5H3Br2N/c1-5-24-26(19-34-20-27(24)23-9-8-14-33-18-23)22-12-13-30-25(17-22)31(32-35-28-10-6-7-11-29(28)36-32)37-38(30)21-39-15-16-40(2,3)4;1-25(2)26(3,4)34-27(33-25)18-12-13-22-19(16-18)23(24-28-20-10-8-9-11-21(20)29-24)30-31(22)17-32-14-15-35(5,6)7;1-2-18-20(16-9-11-27-12-10-16)14-28-15-21(18)17-7-8-22-19(13-17)25(32-31-22)26-29-23-5-3-4-6-24(23)30-26;2*1-2-10-11(7-15-8-12(10)13)9-3-5-14-6-4-9;1-2-5-6(8)3-10-4-7(5)9;8-6(9)5-1-3-7-4-2-5;6-4-1-5(7)3-8-2-4/h6-14,17-20H,5,15-16,21H2,1-4H3,(H,35,36);8-13,16H,14-15,17H2,1-7H3,(H,28,29);3-15H,2H2,1H3,(H,29,30)(H,31,32);2*3-8H,2H2,1H3;3-4H,2H2,1H3;1-4,8-9H;1-3H.

What are the key properties of 3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazole;2-[[3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-3-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;bis(3-bromo-4-ethyl-5-pyridin-4-ylpyridine);3,5-dibromo-4-ethylpyridine;3,5-dibromopyridine;pyridin-4-ylboronic acid?

3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazole;2-[[3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-3-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;bis(3-bromo-4-ethyl-5-pyridin-4-ylpyridine);3,5-dibromo-4-ethylpyridine;3,5-dibromopyridine;pyridin-4-ylboronic acid has a molecular weight of 2604.77 g/mol, XLogP of 30.04, 26 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazole;2-[[3-(1H-benzimidazol-2-yl)-5-(4-ethyl-5-pyridin-3-yl-3-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;bis(3-bromo-4-ethyl-5-pyridin-4-ylpyridine);3,5-dibromo-4-ethylpyridine;3,5-dibromopyridine;pyridin-4-ylboronic acid is sourced from PubChem (CID 161018148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).