8-bromo-9-fluoro-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-fluoro-8-(5-fluoro-3-methyl-1H-indol-7-yl)-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;4-[5-fluoro-7-(9-fluoro-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-1H-indol-3-yl]-2-methylbut-3-yn-2-ol;5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;2-methylbut-3-yn-2-ol

C101H104BBrF8N20O4 — CID 167712202

About 8-bromo-9-fluoro-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-fluoro-8-(5-fluoro-3-methyl-1H-indol-7-yl)-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;4-[5-fluoro-7-(9-fluoro-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-1H-indol-3-yl]-2-methylbut-3-yn-2-ol;5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;2-methylbut-3-yn-2-ol

8-bromo-9-fluoro-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-fluoro-8-(5-fluoro-3-methyl-1H-indol-7-yl)-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;4-[5-fluoro-7-(9-fluoro-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-1H-indol-3-yl]-2-methylbut-3-yn-2-ol;5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;2-methylbut-3-yn-2-ol (PubChem CID 167712202) has the molecular formula C101H104BBrF8N20O4 and a molecular weight of 1904.78 g/mol. Its IUPAC name is 8-bromo-9-fluoro-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-fluoro-8-(5-fluoro-3-methyl-1H-indol-7-yl)-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;4-[5-fluoro-7-(9-fluoro-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-1H-indol-3-yl]-2-methylbut-3-yn-2-ol;5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;2-methylbut-3-yn-2-ol.

Molecular Properties

• Compound Name: 8-bromo-9-fluoro-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-fluoro-8-(5-fluoro-3-methyl-1H-indol-7-yl)-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;4-[5-fluoro-7-(9-fluoro-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-1H-indol-3-yl]-2-methylbut-3-yn-2-ol;5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;2-methylbut-3-yn-2-ol
• PubChem CID: 167712202
• Molecular Formula: C101H104BBrF8N20O4
• Molecular Weight: 1904.78 g/mol
• Exact Mass: 1902.77
• IUPAC Name: 8-bromo-9-fluoro-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-fluoro-8-(5-fluoro-3-methyl-1H-indol-7-yl)-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;4-[5-fluoro-7-(9-fluoro-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-1H-indol-3-yl]-2-methylbut-3-yn-2-ol;5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;2-methylbut-3-yn-2-ol
• SMILES: C#CC(C)(C)O.CC1(C)OB(c2cc(F)cc3cc[nH]c23)OC1(C)C.Cc1cc(-c2cc(F)cc3c(C#CC(C)(C)O)c[nH]c23)c(F)c2c1NC(C)(C)c1nnc(C)n1-2.Cc1cc(-c2cc(F)cc3c(C)c[nH]c23)c(F)c2c1NC(C)(C)c1nnc(C)n1-2.Cc1cc(-c2cc(F)cc3cc[nH]c23)c(F)c2c1NC(C)(C)c1nnc(C)n1-2.Cc1cc(Br)c(F)c2c1NC(C)(C)c1nnc(C)n1-2
• InChI: InChI=1S/C26H25F2N5O.C22H21F2N5.C21H19F2N5.C14H17BFNO2.C13H14BrFN4.C5H8O/c1-13-9-18(20(28)23-21(13)30-26(5,6)24-32-31-14(2)33(23)24)19-11-16(27)10-17-15(12-29-22(17)19)7-8-25(3,4)34;1-10-6-15(16-8-13(23)7-14-11(2)9-25-19(14)16)17(24)20-18(10)26-22(4,5)21-28-27-12(3)29(20)21;1-10-7-14(15-9-13(22)8-12-5-6-24-18(12)15)16(23)19-17(10)25-21(3,4)20-27-26-11(2)28(19)20;1-13(2)14(3,4)19-15(18-13)11-8-10(16)7-9-5-6-17-12(9)11;1-6-5-8(14)9(15)11-10(6)16-13(3,4)12-18-17-7(2)19(11)12;1-4-5(2,3)6/h9-12,29-30,34H,1-6H3;6-9,25-26H,1-5H3;5-9,24-25H,1-4H3;5-8,17H,1-4H3;5,16H,1-4H3;1,6H,2-3H3
• InChIKey: ZZZOLFGJFDIZFJ-UHFFFAOYSA-N
• XLogP: 21.79
• TPSA: 293.04 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 20
• Rotatable Bonds: 4
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1904.78
LogP ≤ 5	21.79
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-bromo-9-fluoro-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-fluoro-8-(5-fluoro-3-methyl-1H-indol-7-yl)-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;4-[5-fluoro-7-(9-fluoro-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-1H-indol-3-yl]-2-methylbut-3-yn-2-ol;5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;2-methylbut-3-yn-2-ol?

The IUPAC name of 8-bromo-9-fluoro-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-fluoro-8-(5-fluoro-3-methyl-1H-indol-7-yl)-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;4-[5-fluoro-7-(9-fluoro-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-1H-indol-3-yl]-2-methylbut-3-yn-2-ol;5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;2-methylbut-3-yn-2-ol (CID 167712202) is 8-bromo-9-fluoro-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-fluoro-8-(5-fluoro-3-methyl-1H-indol-7-yl)-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;4-[5-fluoro-7-(9-fluoro-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-1H-indol-3-yl]-2-methylbut-3-yn-2-ol;5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;2-methylbut-3-yn-2-ol.

What is the SMILES notation for 8-bromo-9-fluoro-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-fluoro-8-(5-fluoro-3-methyl-1H-indol-7-yl)-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;4-[5-fluoro-7-(9-fluoro-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-1H-indol-3-yl]-2-methylbut-3-yn-2-ol;5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;2-methylbut-3-yn-2-ol?

The canonical SMILES for 8-bromo-9-fluoro-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-fluoro-8-(5-fluoro-3-methyl-1H-indol-7-yl)-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;4-[5-fluoro-7-(9-fluoro-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-1H-indol-3-yl]-2-methylbut-3-yn-2-ol;5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;2-methylbut-3-yn-2-ol is C#CC(C)(C)O.CC1(C)OB(c2cc(F)cc3cc[nH]c23)OC1(C)C.Cc1cc(-c2cc(F)cc3c(C#CC(C)(C)O)c[nH]c23)c(F)c2c1NC(C)(C)c1nnc(C)n1-2.Cc1cc(-c2cc(F)cc3c(C)c[nH]c23)c(F)c2c1NC(C)(C)c1nnc(C)n1-2.Cc1cc(-c2cc(F)cc3cc[nH]c23)c(F)c2c1NC(C)(C)c1nnc(C)n1-2.Cc1cc(Br)c(F)c2c1NC(C)(C)c1nnc(C)n1-2.

What is the InChIKey of 8-bromo-9-fluoro-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-fluoro-8-(5-fluoro-3-methyl-1H-indol-7-yl)-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;4-[5-fluoro-7-(9-fluoro-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-1H-indol-3-yl]-2-methylbut-3-yn-2-ol;5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;2-methylbut-3-yn-2-ol?

The InChIKey is ZZZOLFGJFDIZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N5O.C22H21F2N5.C21H19F2N5.C14H17BFNO2.C13H14BrFN4.C5H8O/c1-13-9-18(20(28)23-21(13)30-26(5,6)24-32-31-14(2)33(23)24)19-11-16(27)10-17-15(12-29-22(17)19)7-8-25(3,4)34;1-10-6-15(16-8-13(23)7-14-11(2)9-25-19(14)16)17(24)20-18(10)26-22(4,5)21-28-27-12(3)29(20)21;1-10-7-14(15-9-13(22)8-12-5-6-24-18(12)15)16(23)19-17(10)25-21(3,4)20-27-26-11(2)28(19)20;1-13(2)14(3,4)19-15(18-13)11-8-10(16)7-9-5-6-17-12(9)11;1-6-5-8(14)9(15)11-10(6)16-13(3,4)12-18-17-7(2)19(11)12;1-4-5(2,3)6/h9-12,29-30,34H,1-6H3;6-9,25-26H,1-5H3;5-9,24-25H,1-4H3;5-8,17H,1-4H3;5,16H,1-4H3;1,6H,2-3H3.

What are the key properties of 8-bromo-9-fluoro-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-fluoro-8-(5-fluoro-3-methyl-1H-indol-7-yl)-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;4-[5-fluoro-7-(9-fluoro-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-1H-indol-3-yl]-2-methylbut-3-yn-2-ol;5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;2-methylbut-3-yn-2-ol?

8-bromo-9-fluoro-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-fluoro-8-(5-fluoro-3-methyl-1H-indol-7-yl)-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;4-[5-fluoro-7-(9-fluoro-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-1H-indol-3-yl]-2-methylbut-3-yn-2-ol;5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;2-methylbut-3-yn-2-ol has a molecular weight of 1904.78 g/mol, XLogP of 21.79, 4 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 8-bromo-9-fluoro-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-fluoro-8-(5-fluoro-3-methyl-1H-indol-7-yl)-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;4-[5-fluoro-7-(9-fluoro-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-1H-indol-3-yl]-2-methylbut-3-yn-2-ol;5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;2-methylbut-3-yn-2-ol is sourced from PubChem (CID 167712202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).