[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;[5-[3-(1H-benzimidazol-2-yl)-1-methylindazol-5-yl]-4-methyl-3-pyridinyl]methanol;3-(1H-benzimidazol-2-yl)-1-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)

C85H81BBr3N17O7 — CID 158952989

About [5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;[5-[3-(1H-benzimidazol-2-yl)-1-methylindazol-5-yl]-4-methyl-3-pyridinyl]methanol;3-(1H-benzimidazol-2-yl)-1-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-methylindazol-5-yl]-4-methyl-3-pyridinyl]methanol;3-(1H-benzimidazol-2-yl)-1-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 158952989) has the molecular formula C85H81BBr3N17O7 and a molecular weight of 1703.22 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-methylindazol-5-yl]-4-methyl-3-pyridinyl]methanol;3-(1H-benzimidazol-2-yl)-1-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-methylindazol-5-yl]-4-methyl-3-pyridinyl]methanol;3-(1H-benzimidazol-2-yl)-1-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: 158952989
• Molecular Formula: C85H81BBr3N17O7
• Molecular Weight: 1703.22 g/mol
• Exact Mass: 1699.41
• IUPAC Name: [5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;[5-[3-(1H-benzimidazol-2-yl)-1-methylindazol-5-yl]-4-methyl-3-pyridinyl]methanol;3-(1H-benzimidazol-2-yl)-1-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: Cc1c(Br)cncc1C=O.Cc1c(Br)cncc1CO.Cc1c(Br)cncc1CO.Cc1c(CO)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1.Cc1c(CO)cncc1-c1ccc2c(c1)c(-c1nc3ccccc3[nH]1)nn2C.Cn1nc(-c2nc3ccccc3[nH]2)c2cc(B3OC(C)(C)C(C)(C)O3)ccc21
• InChI: InChI=1S/C22H19N5O.C21H23BN4O2.C21H17N5O.2C7H8BrNO.C7H6BrNO/c1-13-15(12-28)10-23-11-17(13)14-7-8-20-16(9-14)21(26-27(20)2)22-24-18-5-3-4-6-19(18)25-22;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;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/h3-11,28H,12H2,1-2H3,(H,24,25);6-12H,1-5H3,(H,23,24);2-10,27H,11H2,1H3,(H,23,24)(H,25,26);2*2-3,10H,4H2,1H3;2-4H,1H3
• InChIKey: JLQXCAYZGQLTNK-UHFFFAOYSA-N
• XLogP: 16.62
• TPSA: 331.26 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 11
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1703.22
LogP ≤ 5	16.62
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

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-methylindazol-5-yl]-4-methyl-3-pyridinyl]methanol;3-(1H-benzimidazol-2-yl)-1-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-methylindazol-5-yl]-4-methyl-3-pyridinyl]methanol;3-(1H-benzimidazol-2-yl)-1-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 158952989) is [5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;[5-[3-(1H-benzimidazol-2-yl)-1-methylindazol-5-yl]-4-methyl-3-pyridinyl]methanol;3-(1H-benzimidazol-2-yl)-1-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-methylindazol-5-yl]-4-methyl-3-pyridinyl]methanol;3-(1H-benzimidazol-2-yl)-1-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-methylindazol-5-yl]-4-methyl-3-pyridinyl]methanol;3-(1H-benzimidazol-2-yl)-1-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 Cc1c(Br)cncc1C=O.Cc1c(Br)cncc1CO.Cc1c(Br)cncc1CO.Cc1c(CO)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1.Cc1c(CO)cncc1-c1ccc2c(c1)c(-c1nc3ccccc3[nH]1)nn2C.Cn1nc(-c2nc3ccccc3[nH]2)c2cc(B3OC(C)(C)C(C)(C)O3)ccc21.

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-methylindazol-5-yl]-4-methyl-3-pyridinyl]methanol;3-(1H-benzimidazol-2-yl)-1-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 JLQXCAYZGQLTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O.C21H23BN4O2.C21H17N5O.2C7H8BrNO.C7H6BrNO/c1-13-15(12-28)10-23-11-17(13)14-7-8-20-16(9-14)21(26-27(20)2)22-24-18-5-3-4-6-19(18)25-22;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;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/h3-11,28H,12H2,1-2H3,(H,24,25);6-12H,1-5H3,(H,23,24);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-methylindazol-5-yl]-4-methyl-3-pyridinyl]methanol;3-(1H-benzimidazol-2-yl)-1-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-methylindazol-5-yl]-4-methyl-3-pyridinyl]methanol;3-(1H-benzimidazol-2-yl)-1-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 1703.22 g/mol, XLogP of 16.62, 11 rotatable bonds, 8 hydrogen bond donors, and 20 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-methylindazol-5-yl]-4-methyl-3-pyridinyl]methanol;3-(1H-benzimidazol-2-yl)-1-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 158952989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).