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

C99H100BBrF8N20O4 — CID 167538814

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

8-bromo-9-fluoro-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;but-3-yn-2-ol;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]but-3-yn-2-ol;5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole (PubChem CID 167538814) has the molecular formula C99H100BBrF8N20O4 and a molecular weight of 1876.72 g/mol. Its IUPAC name is 8-bromo-9-fluoro-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;but-3-yn-2-ol;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]but-3-yn-2-ol;5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole.

Molecular Properties

• Compound Name: 8-bromo-9-fluoro-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;but-3-yn-2-ol;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]but-3-yn-2-ol;5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
• PubChem CID: 167538814
• Molecular Formula: C99H100BBrF8N20O4
• Molecular Weight: 1876.72 g/mol
• Exact Mass: 1874.74
• IUPAC Name: 8-bromo-9-fluoro-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;but-3-yn-2-ol;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]but-3-yn-2-ol;5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
• SMILES: C#CC(C)O.CC1(C)OB(c2cc(F)cc3cc[nH]c23)OC1(C)C.Cc1cc(-c2cc(F)cc3c(C#CC(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/C25H23F2N5O.C22H21F2N5.C21H19F2N5.C14H17BFNO2.C13H14BrFN4.C4H6O/c1-12-8-18(19-10-16(26)9-17-15(7-6-13(2)33)11-28-22(17)19)20(27)23-21(12)29-25(4,5)24-31-30-14(3)32(23)24;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;1-3-4(2)5/h8-11,13,28-29,33H,1-5H3;6-9,25-26H,1-5H3;5-9,24-25H,1-4H3;5-8,17H,1-4H3;5,16H,1-4H3;1,4-5H,2H3
• InChIKey: AXAKZEVFRDXSGX-UHFFFAOYSA-N
• XLogP: 21.01
• TPSA: 293.04 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 20
• Rotatable Bonds: 4
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1876.72
LogP ≤ 5	21.01
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;but-3-yn-2-ol;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]but-3-yn-2-ol;5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole?

The IUPAC name of 8-bromo-9-fluoro-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;but-3-yn-2-ol;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]but-3-yn-2-ol;5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole (CID 167538814) is 8-bromo-9-fluoro-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;but-3-yn-2-ol;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]but-3-yn-2-ol;5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole.

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

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

The InChIKey is AXAKZEVFRDXSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N5O.C22H21F2N5.C21H19F2N5.C14H17BFNO2.C13H14BrFN4.C4H6O/c1-12-8-18(19-10-16(26)9-17-15(7-6-13(2)33)11-28-22(17)19)20(27)23-21(12)29-25(4,5)24-31-30-14(3)32(23)24;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;1-3-4(2)5/h8-11,13,28-29,33H,1-5H3;6-9,25-26H,1-5H3;5-9,24-25H,1-4H3;5-8,17H,1-4H3;5,16H,1-4H3;1,4-5H,2H3.

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

8-bromo-9-fluoro-1,4,4,6-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;but-3-yn-2-ol;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]but-3-yn-2-ol;5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole has a molecular weight of 1876.72 g/mol, XLogP of 21.01, 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;but-3-yn-2-ol;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]but-3-yn-2-ol;5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole is sourced from PubChem (CID 167538814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).