3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4-methyl-5-pyridin-2-yl-3-pyridinyl)indazole;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-2-yl-3-pyridinyl)-1H-indazole

C86H73BN16O4 — CID 157476519

About 3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4-methyl-5-pyridin-2-yl-3-pyridinyl)indazole;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-2-yl-3-pyridinyl)-1H-indazole

3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4-methyl-5-pyridin-2-yl-3-pyridinyl)indazole;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-2-yl-3-pyridinyl)-1H-indazole (PubChem CID 157476519) has the molecular formula C86H73BN16O4 and a molecular weight of 1405.45 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4-methyl-5-pyridin-2-yl-3-pyridinyl)indazole;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-2-yl-3-pyridinyl)-1H-indazole.

Molecular Properties

• Compound Name: 3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4-methyl-5-pyridin-2-yl-3-pyridinyl)indazole;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-2-yl-3-pyridinyl)-1H-indazole
• PubChem CID: 157476519
• Molecular Formula: C86H73BN16O4
• Molecular Weight: 1405.45 g/mol
• Exact Mass: 1404.61
• IUPAC Name: 3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4-methyl-5-pyridin-2-yl-3-pyridinyl)indazole;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-2-yl-3-pyridinyl)-1H-indazole
• SMILES: COc1ccc(Cn2nc(-c3nc4ccccc4[nH]3)c3cc(-c4cncc(-c5ccccn5)c4C)ccc32)cc1.COc1ccc(Cn2nc(-c3nc4ccccc4[nH]3)c3cc(B4OC(C)(C)C(C)(C)O4)ccc32)cc1.Cc1c(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)cncc1-c1ccccn1
• InChI: InChI=1S/C33H26N6O.C28H29BN4O3.C25H18N6/c1-21-26(18-34-19-27(21)28-7-5-6-16-35-28)23-12-15-31-25(17-23)32(33-36-29-8-3-4-9-30(29)37-33)38-39(31)20-22-10-13-24(40-2)14-11-22;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;1-15-18(13-26-14-19(15)20-6-4-5-11-27-20)16-9-10-21-17(12-16)24(31-30-21)25-28-22-7-2-3-8-23(22)29-25/h3-19H,20H2,1-2H3,(H,36,37);6-16H,17H2,1-5H3,(H,30,31);2-14H,1H3,(H,28,29)(H,30,31)
• InChIKey: BVQQVCYEPPFQSC-UHFFFAOYSA-N
• XLogP: 17.54
• TPSA: 238.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1405.45
LogP ≤ 5	17.54
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

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-[(4-methoxyphenyl)methyl]-5-(4-methyl-5-pyridin-2-yl-3-pyridinyl)indazole;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-2-yl-3-pyridinyl)-1H-indazole?

The IUPAC name of 3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4-methyl-5-pyridin-2-yl-3-pyridinyl)indazole;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-2-yl-3-pyridinyl)-1H-indazole (CID 157476519) is 3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4-methyl-5-pyridin-2-yl-3-pyridinyl)indazole;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-2-yl-3-pyridinyl)-1H-indazole.

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

The canonical SMILES for 3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4-methyl-5-pyridin-2-yl-3-pyridinyl)indazole;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-2-yl-3-pyridinyl)-1H-indazole is COc1ccc(Cn2nc(-c3nc4ccccc4[nH]3)c3cc(-c4cncc(-c5ccccn5)c4C)ccc32)cc1.COc1ccc(Cn2nc(-c3nc4ccccc4[nH]3)c3cc(B4OC(C)(C)C(C)(C)O4)ccc32)cc1.Cc1c(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)cncc1-c1ccccn1.

What is the InChIKey of 3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4-methyl-5-pyridin-2-yl-3-pyridinyl)indazole;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-2-yl-3-pyridinyl)-1H-indazole?

The InChIKey is BVQQVCYEPPFQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26N6O.C28H29BN4O3.C25H18N6/c1-21-26(18-34-19-27(21)28-7-5-6-16-35-28)23-12-15-31-25(17-23)32(33-36-29-8-3-4-9-30(29)37-33)38-39(31)20-22-10-13-24(40-2)14-11-22;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;1-15-18(13-26-14-19(15)20-6-4-5-11-27-20)16-9-10-21-17(12-16)24(31-30-21)25-28-22-7-2-3-8-23(22)29-25/h3-19H,20H2,1-2H3,(H,36,37);6-16H,17H2,1-5H3,(H,30,31);2-14H,1H3,(H,28,29)(H,30,31).

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

3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4-methyl-5-pyridin-2-yl-3-pyridinyl)indazole;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-2-yl-3-pyridinyl)-1H-indazole has a molecular weight of 1405.45 g/mol, XLogP of 17.54, 14 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4-methyl-5-pyridin-2-yl-3-pyridinyl)indazole;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-2-yl-3-pyridinyl)-1H-indazole is sourced from PubChem (CID 157476519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).