1-(6-bromo-2-pyridinyl)ethanone;methyl 6-(6-acetyl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(6-acetyl-2-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate

C93H78B2BrF12N15O15 — CID 158355208

About 1-(6-bromo-2-pyridinyl)ethanone;methyl 6-(6-acetyl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(6-acetyl-2-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate

1-(6-bromo-2-pyridinyl)ethanone;methyl 6-(6-acetyl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(6-acetyl-2-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate (PubChem CID 158355208) has the molecular formula C93H78B2BrF12N15O15 and a molecular weight of 1975.24 g/mol. Its IUPAC name is 1-(6-bromo-2-pyridinyl)ethanone;methyl 6-(6-acetyl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(6-acetyl-2-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate.

Molecular Properties

• Compound Name: 1-(6-bromo-2-pyridinyl)ethanone;methyl 6-(6-acetyl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(6-acetyl-2-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate
• PubChem CID: 158355208
• Molecular Formula: C93H78B2BrF12N15O15
• Molecular Weight: 1975.24 g/mol
• Exact Mass: 1973.50
• IUPAC Name: 1-(6-bromo-2-pyridinyl)ethanone;methyl 6-(6-acetyl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(6-acetyl-2-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate
• SMILES: CC(=O)c1cccc(Br)n1.COC(=O)c1cc(-c2cccc(C(C)=O)n2)cc2c1cnn2-c1cccc(C(F)(F)F)n1.COC(=O)c1cc(-c2cccc(C(C)=O)n2)cc2nn(-c3cccc(C(F)(F)F)n3)cc12.COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc2c1cnn2-c1cccc(C(F)(F)F)n1.COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc2nn(-c3cccc(C(F)(F)F)n3)cc12
• InChI: InChI=1S/2C22H15F3N4O3.2C21H21BF3N3O4.C7H6BrNO/c1-12(30)16-5-3-6-17(26-16)13-9-14(21(31)32-2)15-11-29(28-18(15)10-13)20-8-4-7-19(27-20)22(23,24)25;1-12(30)16-5-3-6-17(27-16)13-9-14(21(31)32-2)15-11-26-29(18(15)10-13)20-8-4-7-19(28-20)22(23,24)25;1-19(2)20(3,4)32-22(31-19)12-9-13(18(29)30-5)14-11-28(27-15(14)10-12)17-8-6-7-16(26-17)21(23,24)25;1-19(2)20(3,4)32-22(31-19)12-9-13(18(29)30-5)14-11-26-28(15(14)10-12)17-8-6-7-16(27-17)21(23,24)25;1-5(10)6-3-2-4-7(8)9-6/h2*3-11H,1-2H3;2*6-11H,1-5H3;2-4H,1H3
• InChIKey: GSUDVDDRZHQUIP-UHFFFAOYSA-N
• XLogP: 18.08
• TPSA: 354.84 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 15
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1975.24
LogP ≤ 5	18.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2-pyridinyl)ethanone;methyl 6-(6-acetyl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(6-acetyl-2-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate?

The IUPAC name of 1-(6-bromo-2-pyridinyl)ethanone;methyl 6-(6-acetyl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(6-acetyl-2-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate (CID 158355208) is 1-(6-bromo-2-pyridinyl)ethanone;methyl 6-(6-acetyl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(6-acetyl-2-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate.

What is the SMILES notation for 1-(6-bromo-2-pyridinyl)ethanone;methyl 6-(6-acetyl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(6-acetyl-2-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate?

The canonical SMILES for 1-(6-bromo-2-pyridinyl)ethanone;methyl 6-(6-acetyl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(6-acetyl-2-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate is CC(=O)c1cccc(Br)n1.COC(=O)c1cc(-c2cccc(C(C)=O)n2)cc2c1cnn2-c1cccc(C(F)(F)F)n1.COC(=O)c1cc(-c2cccc(C(C)=O)n2)cc2nn(-c3cccc(C(F)(F)F)n3)cc12.COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc2c1cnn2-c1cccc(C(F)(F)F)n1.COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc2nn(-c3cccc(C(F)(F)F)n3)cc12.

What is the InChIKey of 1-(6-bromo-2-pyridinyl)ethanone;methyl 6-(6-acetyl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(6-acetyl-2-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate?

The InChIKey is GSUDVDDRZHQUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H15F3N4O3.2C21H21BF3N3O4.C7H6BrNO/c1-12(30)16-5-3-6-17(26-16)13-9-14(21(31)32-2)15-11-29(28-18(15)10-13)20-8-4-7-19(27-20)22(23,24)25;1-12(30)16-5-3-6-17(27-16)13-9-14(21(31)32-2)15-11-26-29(18(15)10-13)20-8-4-7-19(28-20)22(23,24)25;1-19(2)20(3,4)32-22(31-19)12-9-13(18(29)30-5)14-11-28(27-15(14)10-12)17-8-6-7-16(26-17)21(23,24)25;1-19(2)20(3,4)32-22(31-19)12-9-13(18(29)30-5)14-11-26-28(15(14)10-12)17-8-6-7-16(27-17)21(23,24)25;1-5(10)6-3-2-4-7(8)9-6/h2*3-11H,1-2H3;2*6-11H,1-5H3;2-4H,1H3.

What are the key properties of 1-(6-bromo-2-pyridinyl)ethanone;methyl 6-(6-acetyl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(6-acetyl-2-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate?

1-(6-bromo-2-pyridinyl)ethanone;methyl 6-(6-acetyl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(6-acetyl-2-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate has a molecular weight of 1975.24 g/mol, XLogP of 18.08, 15 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-bromo-2-pyridinyl)ethanone;methyl 6-(6-acetyl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(6-acetyl-2-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate is sourced from PubChem (CID 158355208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).