4-bromo-2-methyl-1,3-dihydroisoindole;6-(2-methyl-1,3-dihydroisoindol-4-yl)-1-(6-methyl-2-pyridinyl)indazole;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole

C50H52BBrN8O2 — CID 161024646

About 4-bromo-2-methyl-1,3-dihydroisoindole;6-(2-methyl-1,3-dihydroisoindol-4-yl)-1-(6-methyl-2-pyridinyl)indazole;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole

4-bromo-2-methyl-1,3-dihydroisoindole;6-(2-methyl-1,3-dihydroisoindol-4-yl)-1-(6-methyl-2-pyridinyl)indazole;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (PubChem CID 161024646) has the molecular formula C50H52BBrN8O2 and a molecular weight of 887.74 g/mol. Its IUPAC name is 4-bromo-2-methyl-1,3-dihydroisoindole;6-(2-methyl-1,3-dihydroisoindol-4-yl)-1-(6-methyl-2-pyridinyl)indazole;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.

Molecular Properties

• Compound Name: 4-bromo-2-methyl-1,3-dihydroisoindole;6-(2-methyl-1,3-dihydroisoindol-4-yl)-1-(6-methyl-2-pyridinyl)indazole;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
• PubChem CID: 161024646
• Molecular Formula: C50H52BBrN8O2
• Molecular Weight: 887.74 g/mol
• Exact Mass: 886.35
• IUPAC Name: 4-bromo-2-methyl-1,3-dihydroisoindole;6-(2-methyl-1,3-dihydroisoindol-4-yl)-1-(6-methyl-2-pyridinyl)indazole;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
• SMILES: CN1Cc2cccc(Br)c2C1.Cc1cccc(-n2ncc3ccc(-c4cccc5c4CN(C)C5)cc32)n1.Cc1cccc(-n2ncc3ccc(B4OC(C)(C)C(C)(C)O4)cc32)n1
• InChI: InChI=1S/C22H20N4.C19H22BN3O2.C9H10BrN/c1-15-5-3-8-22(24-15)26-21-11-16(9-10-17(21)12-23-26)19-7-4-6-18-13-25(2)14-20(18)19;1-13-7-6-8-17(22-13)23-16-11-15(10-9-14(16)12-21-23)20-24-18(2,3)19(4,5)25-20;1-11-5-7-3-2-4-9(10)8(7)6-11/h3-12H,13-14H2,1-2H3;6-12H,1-5H3;2-4H,5-6H2,1H3
• InChIKey: TYUZOHMMBBYETA-UHFFFAOYSA-N
• XLogP: 9.76
• TPSA: 86.36 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	887.74
LogP ≤ 5	9.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-1,3-dihydroisoindole;6-(2-methyl-1,3-dihydroisoindol-4-yl)-1-(6-methyl-2-pyridinyl)indazole;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

The IUPAC name of 4-bromo-2-methyl-1,3-dihydroisoindole;6-(2-methyl-1,3-dihydroisoindol-4-yl)-1-(6-methyl-2-pyridinyl)indazole;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (CID 161024646) is 4-bromo-2-methyl-1,3-dihydroisoindole;6-(2-methyl-1,3-dihydroisoindol-4-yl)-1-(6-methyl-2-pyridinyl)indazole;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.

What is the SMILES notation for 4-bromo-2-methyl-1,3-dihydroisoindole;6-(2-methyl-1,3-dihydroisoindol-4-yl)-1-(6-methyl-2-pyridinyl)indazole;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

The canonical SMILES for 4-bromo-2-methyl-1,3-dihydroisoindole;6-(2-methyl-1,3-dihydroisoindol-4-yl)-1-(6-methyl-2-pyridinyl)indazole;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is CN1Cc2cccc(Br)c2C1.Cc1cccc(-n2ncc3ccc(-c4cccc5c4CN(C)C5)cc32)n1.Cc1cccc(-n2ncc3ccc(B4OC(C)(C)C(C)(C)O4)cc32)n1.

What is the InChIKey of 4-bromo-2-methyl-1,3-dihydroisoindole;6-(2-methyl-1,3-dihydroisoindol-4-yl)-1-(6-methyl-2-pyridinyl)indazole;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

The InChIKey is TYUZOHMMBBYETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4.C19H22BN3O2.C9H10BrN/c1-15-5-3-8-22(24-15)26-21-11-16(9-10-17(21)12-23-26)19-7-4-6-18-13-25(2)14-20(18)19;1-13-7-6-8-17(22-13)23-16-11-15(10-9-14(16)12-21-23)20-24-18(2,3)19(4,5)25-20;1-11-5-7-3-2-4-9(10)8(7)6-11/h3-12H,13-14H2,1-2H3;6-12H,1-5H3;2-4H,5-6H2,1H3.

What are the key properties of 4-bromo-2-methyl-1,3-dihydroisoindole;6-(2-methyl-1,3-dihydroisoindol-4-yl)-1-(6-methyl-2-pyridinyl)indazole;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

4-bromo-2-methyl-1,3-dihydroisoindole;6-(2-methyl-1,3-dihydroisoindol-4-yl)-1-(6-methyl-2-pyridinyl)indazole;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole has a molecular weight of 887.74 g/mol, XLogP of 9.76, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-2-methyl-1,3-dihydroisoindole;6-(2-methyl-1,3-dihydroisoindol-4-yl)-1-(6-methyl-2-pyridinyl)indazole;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is sourced from PubChem (CID 161024646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).