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

C99H93BBr3N17O9 — CID 161043505

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

[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;[5-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]methanol;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;5-bromo-4-methylpyridine-3-carbaldehyde;bis((5-bromo-4-methyl-3-pyridinyl)methanol) (PubChem CID 161043505) has the molecular formula C99H93BBr3N17O9 and a molecular weight of 1915.47 g/mol. Its IUPAC name is [5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;[5-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]methanol;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;5-bromo-4-methylpyridine-3-carbaldehyde;bis((5-bromo-4-methyl-3-pyridinyl)methanol).

Molecular Properties

• Compound Name: [5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;[5-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]methanol;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;5-bromo-4-methylpyridine-3-carbaldehyde;bis((5-bromo-4-methyl-3-pyridinyl)methanol)
• PubChem CID: 161043505
• Molecular Formula: C99H93BBr3N17O9
• Molecular Weight: 1915.47 g/mol
• Exact Mass: 1911.50
• IUPAC Name: [5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;[5-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]methanol;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;5-bromo-4-methylpyridine-3-carbaldehyde;bis((5-bromo-4-methyl-3-pyridinyl)methanol)
• SMILES: COc1ccc(Cn2nc(-c3nc4ccccc4[nH]3)c3cc(-c4cncc(CO)c4C)ccc32)cc1.COc1ccc(Cn2nc(-c3nc4ccccc4[nH]3)c3cc(B4OC(C)(C)C(C)(C)O4)ccc32)cc1.Cc1c(Br)cncc1C=O.Cc1c(Br)cncc1CO.Cc1c(Br)cncc1CO.Cc1c(CO)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
• InChI: InChI=1S/C29H25N5O2.C28H29BN4O3.C21H17N5O.2C7H8BrNO.C7H6BrNO/c1-18-21(17-35)14-30-15-24(18)20-9-12-27-23(13-20)28(29-31-25-5-3-4-6-26(25)32-29)33-34(27)16-19-7-10-22(36-2)11-8-19;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;1-12-14(11-27)9-22-10-16(12)13-6-7-17-15(8-13)20(26-25-17)21-23-18-4-2-3-5-19(18)24-21;3*1-5-6(4-10)2-9-3-7(5)8/h3-15,35H,16-17H2,1-2H3,(H,31,32);6-16H,17H2,1-5H3,(H,30,31);2-10,27H,11H2,1H3,(H,23,24)(H,25,26);2*2-3,10H,4H2,1H3;2-4H,1H3
• InChIKey: UBEPQYBSVYQDGX-UHFFFAOYSA-N
• XLogP: 19.66
• TPSA: 349.72 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 17
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1915.47
LogP ≤ 5	19.66
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of [5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;[5-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]methanol;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;5-bromo-4-methylpyridine-3-carbaldehyde;bis((5-bromo-4-methyl-3-pyridinyl)methanol) (CID 161043505) is [5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;[5-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]methanol;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;5-bromo-4-methylpyridine-3-carbaldehyde;bis((5-bromo-4-methyl-3-pyridinyl)methanol).

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

The canonical SMILES for [5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;[5-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]methanol;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;5-bromo-4-methylpyridine-3-carbaldehyde;bis((5-bromo-4-methyl-3-pyridinyl)methanol) is COc1ccc(Cn2nc(-c3nc4ccccc4[nH]3)c3cc(-c4cncc(CO)c4C)ccc32)cc1.COc1ccc(Cn2nc(-c3nc4ccccc4[nH]3)c3cc(B4OC(C)(C)C(C)(C)O4)ccc32)cc1.Cc1c(Br)cncc1C=O.Cc1c(Br)cncc1CO.Cc1c(Br)cncc1CO.Cc1c(CO)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1.

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

The InChIKey is UBEPQYBSVYQDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N5O2.C28H29BN4O3.C21H17N5O.2C7H8BrNO.C7H6BrNO/c1-18-21(17-35)14-30-15-24(18)20-9-12-27-23(13-20)28(29-31-25-5-3-4-6-26(25)32-29)33-34(27)16-19-7-10-22(36-2)11-8-19;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;1-12-14(11-27)9-22-10-16(12)13-6-7-17-15(8-13)20(26-25-17)21-23-18-4-2-3-5-19(18)24-21;3*1-5-6(4-10)2-9-3-7(5)8/h3-15,35H,16-17H2,1-2H3,(H,31,32);6-16H,17H2,1-5H3,(H,30,31);2-10,27H,11H2,1H3,(H,23,24)(H,25,26);2*2-3,10H,4H2,1H3;2-4H,1H3.

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

[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;[5-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]methanol;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;5-bromo-4-methylpyridine-3-carbaldehyde;bis((5-bromo-4-methyl-3-pyridinyl)methanol) has a molecular weight of 1915.47 g/mol, XLogP of 19.66, 17 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;[5-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]methanol;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;5-bromo-4-methylpyridine-3-carbaldehyde;bis((5-bromo-4-methyl-3-pyridinyl)methanol) is sourced from PubChem (CID 161043505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).