[4-[5-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]-2-pyridinyl]methanol;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis([3-(5-bromo-4-methyl-3-pyridinyl)phenyl]methanol);3,5-dibromo-4-methylpyridine;[3-(hydroxymethyl)phenyl]boronic acid

C101H95B2Br4N13O10 — CID 157107564

About [4-[5-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]-2-pyridinyl]methanol;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis([3-(5-bromo-4-methyl-3-pyridinyl)phenyl]methanol);3,5-dibromo-4-methylpyridine;[3-(hydroxymethyl)phenyl]boronic acid

[4-[5-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]-2-pyridinyl]methanol;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis([3-(5-bromo-4-methyl-3-pyridinyl)phenyl]methanol);3,5-dibromo-4-methylpyridine;[3-(hydroxymethyl)phenyl]boronic acid (PubChem CID 157107564) has the molecular formula C101H95B2Br4N13O10 and a molecular weight of 1992.19 g/mol. Its IUPAC name is [4-[5-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]-2-pyridinyl]methanol;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis([3-(5-bromo-4-methyl-3-pyridinyl)phenyl]methanol);3,5-dibromo-4-methylpyridine;[3-(hydroxymethyl)phenyl]boronic acid.

Molecular Properties

• Compound Name: [4-[5-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]-2-pyridinyl]methanol;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis([3-(5-bromo-4-methyl-3-pyridinyl)phenyl]methanol);3,5-dibromo-4-methylpyridine;[3-(hydroxymethyl)phenyl]boronic acid
• PubChem CID: 157107564
• Molecular Formula: C101H95B2Br4N13O10
• Molecular Weight: 1992.19 g/mol
• Exact Mass: 1987.42
• IUPAC Name: [4-[5-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]-2-pyridinyl]methanol;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis([3-(5-bromo-4-methyl-3-pyridinyl)phenyl]methanol);3,5-dibromo-4-methylpyridine;[3-(hydroxymethyl)phenyl]boronic acid
• SMILES: COc1ccc(Cn2nc(-c3nc4ccccc4[nH]3)c3cc(-c4cncc(-c5ccnc(CO)c5)c4C)ccc32)cc1.COc1ccc(Cn2nc(-c3nc4ccccc4[nH]3)c3cc(B4OC(C)(C)C(C)(C)O4)ccc32)cc1.Cc1c(Br)cncc1-c1cccc(CO)c1.Cc1c(Br)cncc1-c1cccc(CO)c1.Cc1c(Br)cncc1Br.OCc1cccc(B(O)O)c1
• InChI: InChI=1S/C34H28N6O2.C28H29BN4O3.2C13H12BrNO.C7H9BO3.C6H5Br2N/c1-21-28(17-35-18-29(21)24-13-14-36-25(15-24)20-41)23-9-12-32-27(16-23)33(34-37-30-5-3-4-6-31(30)38-34)39-40(32)19-22-7-10-26(42-2)11-8-22;1-27(2)28(3,4)36-29(35-27)19-12-15-24-21(16-19)25(26-30-22-8-6-7-9-23(22)31-26)32-33(24)17-18-10-13-20(34-5)14-11-18;2*1-9-12(6-15-7-13(9)14)11-4-2-3-10(5-11)8-16;9-5-6-2-1-3-7(4-6)8(10)11;1-4-5(7)2-9-3-6(4)8/h3-18,41H,19-20H2,1-2H3,(H,37,38);6-16H,17H2,1-5H3,(H,30,31);2*2-7,16H,8H2,1H3;1-4,9-11H,5H2;2-3H,1H3
• InChIKey: AGLXSGOOYLCAMG-UHFFFAOYSA-N
• XLogP: 19.89
• TPSA: 315.75 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 21
• Rotatable Bonds: 18
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1992.19
LogP ≤ 5	19.89
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[5-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]-2-pyridinyl]methanol;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis([3-(5-bromo-4-methyl-3-pyridinyl)phenyl]methanol);3,5-dibromo-4-methylpyridine;[3-(hydroxymethyl)phenyl]boronic acid?

The IUPAC name of [4-[5-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]-2-pyridinyl]methanol;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis([3-(5-bromo-4-methyl-3-pyridinyl)phenyl]methanol);3,5-dibromo-4-methylpyridine;[3-(hydroxymethyl)phenyl]boronic acid (CID 157107564) is [4-[5-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]-2-pyridinyl]methanol;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis([3-(5-bromo-4-methyl-3-pyridinyl)phenyl]methanol);3,5-dibromo-4-methylpyridine;[3-(hydroxymethyl)phenyl]boronic acid.

What is the SMILES notation for [4-[5-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]-2-pyridinyl]methanol;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis([3-(5-bromo-4-methyl-3-pyridinyl)phenyl]methanol);3,5-dibromo-4-methylpyridine;[3-(hydroxymethyl)phenyl]boronic acid?

The canonical SMILES for [4-[5-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]-2-pyridinyl]methanol;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis([3-(5-bromo-4-methyl-3-pyridinyl)phenyl]methanol);3,5-dibromo-4-methylpyridine;[3-(hydroxymethyl)phenyl]boronic acid is COc1ccc(Cn2nc(-c3nc4ccccc4[nH]3)c3cc(-c4cncc(-c5ccnc(CO)c5)c4C)ccc32)cc1.COc1ccc(Cn2nc(-c3nc4ccccc4[nH]3)c3cc(B4OC(C)(C)C(C)(C)O4)ccc32)cc1.Cc1c(Br)cncc1-c1cccc(CO)c1.Cc1c(Br)cncc1-c1cccc(CO)c1.Cc1c(Br)cncc1Br.OCc1cccc(B(O)O)c1.

What is the InChIKey of [4-[5-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]-2-pyridinyl]methanol;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis([3-(5-bromo-4-methyl-3-pyridinyl)phenyl]methanol);3,5-dibromo-4-methylpyridine;[3-(hydroxymethyl)phenyl]boronic acid?

The InChIKey is AGLXSGOOYLCAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N6O2.C28H29BN4O3.2C13H12BrNO.C7H9BO3.C6H5Br2N/c1-21-28(17-35-18-29(21)24-13-14-36-25(15-24)20-41)23-9-12-32-27(16-23)33(34-37-30-5-3-4-6-31(30)38-34)39-40(32)19-22-7-10-26(42-2)11-8-22;1-27(2)28(3,4)36-29(35-27)19-12-15-24-21(16-19)25(26-30-22-8-6-7-9-23(22)31-26)32-33(24)17-18-10-13-20(34-5)14-11-18;2*1-9-12(6-15-7-13(9)14)11-4-2-3-10(5-11)8-16;9-5-6-2-1-3-7(4-6)8(10)11;1-4-5(7)2-9-3-6(4)8/h3-18,41H,19-20H2,1-2H3,(H,37,38);6-16H,17H2,1-5H3,(H,30,31);2*2-7,16H,8H2,1H3;1-4,9-11H,5H2;2-3H,1H3.

What are the key properties of [4-[5-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]-2-pyridinyl]methanol;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis([3-(5-bromo-4-methyl-3-pyridinyl)phenyl]methanol);3,5-dibromo-4-methylpyridine;[3-(hydroxymethyl)phenyl]boronic acid?

[4-[5-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]-2-pyridinyl]methanol;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis([3-(5-bromo-4-methyl-3-pyridinyl)phenyl]methanol);3,5-dibromo-4-methylpyridine;[3-(hydroxymethyl)phenyl]boronic acid has a molecular weight of 1992.19 g/mol, XLogP of 19.89, 18 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[5-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]-2-pyridinyl]methanol;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis([3-(5-bromo-4-methyl-3-pyridinyl)phenyl]methanol);3,5-dibromo-4-methylpyridine;[3-(hydroxymethyl)phenyl]boronic acid is sourced from PubChem (CID 157107564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).