3-(1H-benzimidazol-2-yl)-1-methyl-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazole;3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazole;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(3-bromo-4-methyl-5-pyridin-4-ylpyridine);3,5-dibromo-4-methylpyridine;pyridin-4-ylboronic acid

C₁₀₅H₉₀B₂Br₄N₂₂O₄ — CID 162041057

About 3-(1H-benzimidazol-2-yl)-1-methyl-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazole;3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazole;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(3-bromo-4-methyl-5-pyridin-4-ylpyridine);3,5-dibromo-4-methylpyridine;pyridin-4-ylboronic acid

3-(1H-benzimidazol-2-yl)-1-methyl-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazole;3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazole;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(3-bromo-4-methyl-5-pyridin-4-ylpyridine);3,5-dibromo-4-methylpyridine;pyridin-4-ylboronic acid (PubChem CID 162041057) has the molecular formula C₁₀₅H₉₀B₂Br₄N₂₂O₄ and a molecular weight of 2065.26 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-1-methyl-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazole;3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazole;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(3-bromo-4-methyl-5-pyridin-4-ylpyridine);3,5-dibromo-4-methylpyridine;pyridin-4-ylboronic acid.

Molecular Properties

• Compound Name: 3-(1H-benzimidazol-2-yl)-1-methyl-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazole;3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazole;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(3-bromo-4-methyl-5-pyridin-4-ylpyridine);3,5-dibromo-4-methylpyridine;pyridin-4-ylboronic acid
• PubChem CID: 162041057
• Molecular Formula: C₁₀₅H₉₀B₂Br₄N₂₂O₄
• Molecular Weight: 2065.26 g/mol
• Exact Mass: 2060.44
• IUPAC Name: 3-(1H-benzimidazol-2-yl)-1-methyl-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazole;3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazole;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(3-bromo-4-methyl-5-pyridin-4-ylpyridine);3,5-dibromo-4-methylpyridine;pyridin-4-ylboronic acid
• SMILES: Cc1c(-c2ccncc2)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1.Cc1c(-c2ccncc2)cncc1-c1ccc2c(c1)c(-c1nc3ccccc3[nH]1)nn2C.Cc1c(Br)cncc1-c1ccncc1.Cc1c(Br)cncc1-c1ccncc1.Cc1c(Br)cncc1Br.Cn1nc(-c2nc3ccccc3[nH]2)c2cc(B3OC(C)(C)C(C)(C)O3)ccc21.OB(O)c1ccncc1
• InChI: InChI=1S/C26H20N6.C25H18N6.C21H23BN4O2.2C11H9BrN2.C6H5Br2N.C5H6BNO2/c1-16-20(17-9-11-27-12-10-17)14-28-15-21(16)18-7-8-24-19(13-18)25(31-32(24)2)26-29-22-5-3-4-6-23(22)30-26;1-15-19(16-8-10-26-11-9-16)13-27-14-20(15)17-6-7-21-18(12-17)24(31-30-21)25-28-22-4-2-3-5-23(22)29-25;1-20(2)21(3,4)28-22(27-20)13-10-11-17-14(12-13)18(25-26(17)5)19-23-15-8-6-7-9-16(15)24-19;2*1-8-10(6-14-7-11(8)12)9-2-4-13-5-3-9;1-4-5(7)2-9-3-6(4)8;8-6(9)5-1-3-7-4-2-5/h3-15H,1-2H3,(H,29,30);2-14H,1H3,(H,28,29)(H,30,31);6-12H,1-5H3,(H,23,24);2*2-7H,1H3;2-3H,1H3;1-4,8-9H
• InChIKey: YXGZMQHKOSAMFR-UHFFFAOYSA-N
• XLogP: 22.61
• TPSA: 338.18 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 11
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2065.26
LogP ≤ 5	22.61
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-1-methyl-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazole;3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazole;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(3-bromo-4-methyl-5-pyridin-4-ylpyridine);3,5-dibromo-4-methylpyridine;pyridin-4-ylboronic acid?

The IUPAC name of 3-(1H-benzimidazol-2-yl)-1-methyl-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazole;3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazole;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(3-bromo-4-methyl-5-pyridin-4-ylpyridine);3,5-dibromo-4-methylpyridine;pyridin-4-ylboronic acid (CID 162041057) is 3-(1H-benzimidazol-2-yl)-1-methyl-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazole;3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazole;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(3-bromo-4-methyl-5-pyridin-4-ylpyridine);3,5-dibromo-4-methylpyridine;pyridin-4-ylboronic acid.

What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-1-methyl-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazole;3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazole;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(3-bromo-4-methyl-5-pyridin-4-ylpyridine);3,5-dibromo-4-methylpyridine;pyridin-4-ylboronic acid?

The canonical SMILES for 3-(1H-benzimidazol-2-yl)-1-methyl-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazole;3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazole;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(3-bromo-4-methyl-5-pyridin-4-ylpyridine);3,5-dibromo-4-methylpyridine;pyridin-4-ylboronic acid is Cc1c(-c2ccncc2)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1.Cc1c(-c2ccncc2)cncc1-c1ccc2c(c1)c(-c1nc3ccccc3[nH]1)nn2C.Cc1c(Br)cncc1-c1ccncc1.Cc1c(Br)cncc1-c1ccncc1.Cc1c(Br)cncc1Br.Cn1nc(-c2nc3ccccc3[nH]2)c2cc(B3OC(C)(C)C(C)(C)O3)ccc21.OB(O)c1ccncc1.

What is the InChIKey of 3-(1H-benzimidazol-2-yl)-1-methyl-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazole;3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazole;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(3-bromo-4-methyl-5-pyridin-4-ylpyridine);3,5-dibromo-4-methylpyridine;pyridin-4-ylboronic acid?

The InChIKey is YXGZMQHKOSAMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6.C25H18N6.C21H23BN4O2.2C11H9BrN2.C6H5Br2N.C5H6BNO2/c1-16-20(17-9-11-27-12-10-17)14-28-15-21(16)18-7-8-24-19(13-18)25(31-32(24)2)26-29-22-5-3-4-6-23(22)30-26;1-15-19(16-8-10-26-11-9-16)13-27-14-20(15)17-6-7-21-18(12-17)24(31-30-21)25-28-22-4-2-3-5-23(22)29-25;1-20(2)21(3,4)28-22(27-20)13-10-11-17-14(12-13)18(25-26(17)5)19-23-15-8-6-7-9-16(15)24-19;2*1-8-10(6-14-7-11(8)12)9-2-4-13-5-3-9;1-4-5(7)2-9-3-6(4)8;8-6(9)5-1-3-7-4-2-5/h3-15H,1-2H3,(H,29,30);2-14H,1H3,(H,28,29)(H,30,31);6-12H,1-5H3,(H,23,24);2*2-7H,1H3;2-3H,1H3;1-4,8-9H.

What are the key properties of 3-(1H-benzimidazol-2-yl)-1-methyl-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazole;3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazole;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(3-bromo-4-methyl-5-pyridin-4-ylpyridine);3,5-dibromo-4-methylpyridine;pyridin-4-ylboronic acid?

3-(1H-benzimidazol-2-yl)-1-methyl-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazole;3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazole;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(3-bromo-4-methyl-5-pyridin-4-ylpyridine);3,5-dibromo-4-methylpyridine;pyridin-4-ylboronic acid has a molecular weight of 2065.26 g/mol, XLogP of 22.61, 11 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1H-benzimidazol-2-yl)-1-methyl-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazole;3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazole;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(3-bromo-4-methyl-5-pyridin-4-ylpyridine);3,5-dibromo-4-methylpyridine;pyridin-4-ylboronic acid is sourced from PubChem (CID 162041057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 162041057 — identifiers, structure, computed properties (public domain)

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