6-bromopyridine-2-carboxamide;6-[1-[(4-methylphenyl)methyl]indazol-5-yl]pyridine-2-carboxamide;1-[(4-methylphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole

C48H48BBrN8O4 — CID 161486739

About 6-bromopyridine-2-carboxamide;6-[1-[(4-methylphenyl)methyl]indazol-5-yl]pyridine-2-carboxamide;1-[(4-methylphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole

6-bromopyridine-2-carboxamide;6-[1-[(4-methylphenyl)methyl]indazol-5-yl]pyridine-2-carboxamide;1-[(4-methylphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (PubChem CID 161486739) has the molecular formula C48H48BBrN8O4 and a molecular weight of 891.68 g/mol. Its IUPAC name is 6-bromopyridine-2-carboxamide;6-[1-[(4-methylphenyl)methyl]indazol-5-yl]pyridine-2-carboxamide;1-[(4-methylphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.

Molecular Properties

• Compound Name: 6-bromopyridine-2-carboxamide;6-[1-[(4-methylphenyl)methyl]indazol-5-yl]pyridine-2-carboxamide;1-[(4-methylphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
• PubChem CID: 161486739
• Molecular Formula: C48H48BBrN8O4
• Molecular Weight: 891.68 g/mol
• Exact Mass: 890.31
• IUPAC Name: 6-bromopyridine-2-carboxamide;6-[1-[(4-methylphenyl)methyl]indazol-5-yl]pyridine-2-carboxamide;1-[(4-methylphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
• SMILES: Cc1ccc(Cn2ncc3cc(-c4cccc(C(N)=O)n4)ccc32)cc1.Cc1ccc(Cn2ncc3cc(B4OC(C)(C)C(C)(C)O4)ccc32)cc1.NC(=O)c1cccc(Br)n1
• InChI: InChI=1S/C21H25BN2O2.C21H18N4O.C6H5BrN2O/c1-15-6-8-16(9-7-15)14-24-19-11-10-18(12-17(19)13-23-24)22-25-20(2,3)21(4,5)26-22;1-14-5-7-15(8-6-14)13-25-20-10-9-16(11-17(20)12-23-25)18-3-2-4-19(24-18)21(22)26;7-5-3-1-2-4(9-5)6(8)10/h6-13H,14H2,1-5H3;2-12H,13H2,1H3,(H2,22,26);1-3H,(H2,8,10)
• InChIKey: WFBLGGMHILVKCE-UHFFFAOYSA-N
• XLogP: 8.19
• TPSA: 166.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	891.68
LogP ≤ 5	8.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromopyridine-2-carboxamide;6-[1-[(4-methylphenyl)methyl]indazol-5-yl]pyridine-2-carboxamide;1-[(4-methylphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

The IUPAC name of 6-bromopyridine-2-carboxamide;6-[1-[(4-methylphenyl)methyl]indazol-5-yl]pyridine-2-carboxamide;1-[(4-methylphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (CID 161486739) is 6-bromopyridine-2-carboxamide;6-[1-[(4-methylphenyl)methyl]indazol-5-yl]pyridine-2-carboxamide;1-[(4-methylphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.

What is the SMILES notation for 6-bromopyridine-2-carboxamide;6-[1-[(4-methylphenyl)methyl]indazol-5-yl]pyridine-2-carboxamide;1-[(4-methylphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

The canonical SMILES for 6-bromopyridine-2-carboxamide;6-[1-[(4-methylphenyl)methyl]indazol-5-yl]pyridine-2-carboxamide;1-[(4-methylphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is Cc1ccc(Cn2ncc3cc(-c4cccc(C(N)=O)n4)ccc32)cc1.Cc1ccc(Cn2ncc3cc(B4OC(C)(C)C(C)(C)O4)ccc32)cc1.NC(=O)c1cccc(Br)n1.

What is the InChIKey of 6-bromopyridine-2-carboxamide;6-[1-[(4-methylphenyl)methyl]indazol-5-yl]pyridine-2-carboxamide;1-[(4-methylphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

The InChIKey is WFBLGGMHILVKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BN2O2.C21H18N4O.C6H5BrN2O/c1-15-6-8-16(9-7-15)14-24-19-11-10-18(12-17(19)13-23-24)22-25-20(2,3)21(4,5)26-22;1-14-5-7-15(8-6-14)13-25-20-10-9-16(11-17(20)12-23-25)18-3-2-4-19(24-18)21(22)26;7-5-3-1-2-4(9-5)6(8)10/h6-13H,14H2,1-5H3;2-12H,13H2,1H3,(H2,22,26);1-3H,(H2,8,10).

What are the key properties of 6-bromopyridine-2-carboxamide;6-[1-[(4-methylphenyl)methyl]indazol-5-yl]pyridine-2-carboxamide;1-[(4-methylphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

6-bromopyridine-2-carboxamide;6-[1-[(4-methylphenyl)methyl]indazol-5-yl]pyridine-2-carboxamide;1-[(4-methylphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole has a molecular weight of 891.68 g/mol, XLogP of 8.19, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromopyridine-2-carboxamide;6-[1-[(4-methylphenyl)methyl]indazol-5-yl]pyridine-2-carboxamide;1-[(4-methylphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is sourced from PubChem (CID 161486739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).