8-bromo-6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;2,5-dihydrofuran;8-[3-(2,3-dihydrofuran-3-yl)-5-fluoro-1H-indol-7-yl]-6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;6-ethyl-9-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;6-ethyl-9-fluoro-8-(5-fluoro-3-iodo-1H-indol-7-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;6-ethyl-9-fluoro-8-[5-fluoro-3-(oxolan-3-yl)-1H-indol-7-yl]-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole

C128H132BBrF10IN25O5 — CID 167682214

About 8-bromo-6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;2,5-dihydrofuran;8-[3-(2,3-dihydrofuran-3-yl)-5-fluoro-1H-indol-7-yl]-6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;6-ethyl-9-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;6-ethyl-9-fluoro-8-(5-fluoro-3-iodo-1H-indol-7-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;6-ethyl-9-fluoro-8-[5-fluoro-3-(oxolan-3-yl)-1H-indol-7-yl]-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole

8-bromo-6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;2,5-dihydrofuran;8-[3-(2,3-dihydrofuran-3-yl)-5-fluoro-1H-indol-7-yl]-6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;6-ethyl-9-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;6-ethyl-9-fluoro-8-(5-fluoro-3-iodo-1H-indol-7-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;6-ethyl-9-fluoro-8-[5-fluoro-3-(oxolan-3-yl)-1H-indol-7-yl]-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole (PubChem CID 167682214) has the molecular formula C128H132BBrF10IN25O5 and a molecular weight of 2508.23 g/mol. Its IUPAC name is 8-bromo-6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;2,5-dihydrofuran;8-[3-(2,3-dihydrofuran-3-yl)-5-fluoro-1H-indol-7-yl]-6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;6-ethyl-9-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;6-ethyl-9-fluoro-8-(5-fluoro-3-iodo-1H-indol-7-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;6-ethyl-9-fluoro-8-[5-fluoro-3-(oxolan-3-yl)-1H-indol-7-yl]-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole.

Molecular Properties

• Compound Name: 8-bromo-6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;2,5-dihydrofuran;8-[3-(2,3-dihydrofuran-3-yl)-5-fluoro-1H-indol-7-yl]-6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;6-ethyl-9-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;6-ethyl-9-fluoro-8-(5-fluoro-3-iodo-1H-indol-7-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;6-ethyl-9-fluoro-8-[5-fluoro-3-(oxolan-3-yl)-1H-indol-7-yl]-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
• PubChem CID: 167682214
• Molecular Formula: C128H132BBrF10IN25O5
• Molecular Weight: 2508.23 g/mol
• Exact Mass: 2505.90
• IUPAC Name: 8-bromo-6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;2,5-dihydrofuran;8-[3-(2,3-dihydrofuran-3-yl)-5-fluoro-1H-indol-7-yl]-6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;6-ethyl-9-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;6-ethyl-9-fluoro-8-(5-fluoro-3-iodo-1H-indol-7-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;6-ethyl-9-fluoro-8-[5-fluoro-3-(oxolan-3-yl)-1H-indol-7-yl]-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
• SMILES: C1=CCOC1.CC1(C)OB(c2cc(F)cc3cc[nH]c23)OC1(C)C.CCc1cc(-c2cc(F)cc3c(C4C=COC4)c[nH]c23)c(F)c2c1NC(C)(C)c1nnc(C)n1-2.CCc1cc(-c2cc(F)cc3c(C4CCOC4)c[nH]c23)c(F)c2c1NC(C)(C)c1nnc(C)n1-2.CCc1cc(-c2cc(F)cc3c(I)c[nH]c23)c(F)c2c1NC(C)(C)c1nnc(C)n1-2.CCc1cc(-c2cc(F)cc3cc[nH]c23)c(F)c2c1NC(C)(C)c1nnc(C)n1-2.CCc1cc(Br)c(F)c2c1NC(C)(C)c1nnc(C)n1-2
• InChI: InChI=1S/C26H27F2N5O.C26H25F2N5O.C22H20F2IN5.C22H21F2N5.C14H17BFNO2.C14H16BrFN4.C4H6O/c2*1-5-14-8-17(21(28)24-22(14)30-26(3,4)25-32-31-13(2)33(24)25)18-9-16(27)10-19-20(11-29-23(18)19)15-6-7-34-12-15;1-5-11-6-13(14-7-12(23)8-15-16(25)9-26-19(14)15)17(24)20-18(11)27-22(3,4)21-29-28-10(2)30(20)21;1-5-12-9-15(16-10-14(23)8-13-6-7-25-18(13)16)17(24)20-19(12)26-22(3,4)21-28-27-11(2)29(20)21;1-13(2)14(3,4)19-15(18-13)11-8-10(16)7-9-5-6-17-12(9)11;1-5-8-6-9(15)10(16)12-11(8)17-14(3,4)13-19-18-7(2)20(12)13;1-2-4-5-3-1/h8-11,15,29-30H,5-7,12H2,1-4H3;6-11,15,29-30H,5,12H2,1-4H3;6-9,26-27H,5H2,1-4H3;6-10,25-26H,5H2,1-4H3;5-8,17H,1-4H3;6,17H,5H2,1-4H3;1-2H,3-4H2
• InChIKey: VRZBNVQDNRMZOC-UHFFFAOYSA-N
• XLogP: 29.52
• TPSA: 338.80 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 25
• Rotatable Bonds: 12
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2508.23
LogP ≤ 5	29.52
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;2,5-dihydrofuran;8-[3-(2,3-dihydrofuran-3-yl)-5-fluoro-1H-indol-7-yl]-6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;6-ethyl-9-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;6-ethyl-9-fluoro-8-(5-fluoro-3-iodo-1H-indol-7-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;6-ethyl-9-fluoro-8-[5-fluoro-3-(oxolan-3-yl)-1H-indol-7-yl]-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole?

The IUPAC name of 8-bromo-6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;2,5-dihydrofuran;8-[3-(2,3-dihydrofuran-3-yl)-5-fluoro-1H-indol-7-yl]-6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;6-ethyl-9-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;6-ethyl-9-fluoro-8-(5-fluoro-3-iodo-1H-indol-7-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;6-ethyl-9-fluoro-8-[5-fluoro-3-(oxolan-3-yl)-1H-indol-7-yl]-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole (CID 167682214) is 8-bromo-6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;2,5-dihydrofuran;8-[3-(2,3-dihydrofuran-3-yl)-5-fluoro-1H-indol-7-yl]-6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;6-ethyl-9-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;6-ethyl-9-fluoro-8-(5-fluoro-3-iodo-1H-indol-7-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;6-ethyl-9-fluoro-8-[5-fluoro-3-(oxolan-3-yl)-1H-indol-7-yl]-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole.

What is the SMILES notation for 8-bromo-6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;2,5-dihydrofuran;8-[3-(2,3-dihydrofuran-3-yl)-5-fluoro-1H-indol-7-yl]-6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;6-ethyl-9-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;6-ethyl-9-fluoro-8-(5-fluoro-3-iodo-1H-indol-7-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;6-ethyl-9-fluoro-8-[5-fluoro-3-(oxolan-3-yl)-1H-indol-7-yl]-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole?

The canonical SMILES for 8-bromo-6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;2,5-dihydrofuran;8-[3-(2,3-dihydrofuran-3-yl)-5-fluoro-1H-indol-7-yl]-6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;6-ethyl-9-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;6-ethyl-9-fluoro-8-(5-fluoro-3-iodo-1H-indol-7-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;6-ethyl-9-fluoro-8-[5-fluoro-3-(oxolan-3-yl)-1H-indol-7-yl]-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole is C1=CCOC1.CC1(C)OB(c2cc(F)cc3cc[nH]c23)OC1(C)C.CCc1cc(-c2cc(F)cc3c(C4C=COC4)c[nH]c23)c(F)c2c1NC(C)(C)c1nnc(C)n1-2.CCc1cc(-c2cc(F)cc3c(C4CCOC4)c[nH]c23)c(F)c2c1NC(C)(C)c1nnc(C)n1-2.CCc1cc(-c2cc(F)cc3c(I)c[nH]c23)c(F)c2c1NC(C)(C)c1nnc(C)n1-2.CCc1cc(-c2cc(F)cc3cc[nH]c23)c(F)c2c1NC(C)(C)c1nnc(C)n1-2.CCc1cc(Br)c(F)c2c1NC(C)(C)c1nnc(C)n1-2.

What is the InChIKey of 8-bromo-6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;2,5-dihydrofuran;8-[3-(2,3-dihydrofuran-3-yl)-5-fluoro-1H-indol-7-yl]-6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;6-ethyl-9-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;6-ethyl-9-fluoro-8-(5-fluoro-3-iodo-1H-indol-7-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;6-ethyl-9-fluoro-8-[5-fluoro-3-(oxolan-3-yl)-1H-indol-7-yl]-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole?

The InChIKey is VRZBNVQDNRMZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N5O.C26H25F2N5O.C22H20F2IN5.C22H21F2N5.C14H17BFNO2.C14H16BrFN4.C4H6O/c2*1-5-14-8-17(21(28)24-22(14)30-26(3,4)25-32-31-13(2)33(24)25)18-9-16(27)10-19-20(11-29-23(18)19)15-6-7-34-12-15;1-5-11-6-13(14-7-12(23)8-15-16(25)9-26-19(14)15)17(24)20-18(11)27-22(3,4)21-29-28-10(2)30(20)21;1-5-12-9-15(16-10-14(23)8-13-6-7-25-18(13)16)17(24)20-19(12)26-22(3,4)21-28-27-11(2)29(20)21;1-13(2)14(3,4)19-15(18-13)11-8-10(16)7-9-5-6-17-12(9)11;1-5-8-6-9(15)10(16)12-11(8)17-14(3,4)13-19-18-7(2)20(12)13;1-2-4-5-3-1/h8-11,15,29-30H,5-7,12H2,1-4H3;6-11,15,29-30H,5,12H2,1-4H3;6-9,26-27H,5H2,1-4H3;6-10,25-26H,5H2,1-4H3;5-8,17H,1-4H3;6,17H,5H2,1-4H3;1-2H,3-4H2.

What are the key properties of 8-bromo-6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;2,5-dihydrofuran;8-[3-(2,3-dihydrofuran-3-yl)-5-fluoro-1H-indol-7-yl]-6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;6-ethyl-9-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;6-ethyl-9-fluoro-8-(5-fluoro-3-iodo-1H-indol-7-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;6-ethyl-9-fluoro-8-[5-fluoro-3-(oxolan-3-yl)-1H-indol-7-yl]-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole?

8-bromo-6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;2,5-dihydrofuran;8-[3-(2,3-dihydrofuran-3-yl)-5-fluoro-1H-indol-7-yl]-6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;6-ethyl-9-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;6-ethyl-9-fluoro-8-(5-fluoro-3-iodo-1H-indol-7-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;6-ethyl-9-fluoro-8-[5-fluoro-3-(oxolan-3-yl)-1H-indol-7-yl]-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole has a molecular weight of 2508.23 g/mol, XLogP of 29.52, 12 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 8-bromo-6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;2,5-dihydrofuran;8-[3-(2,3-dihydrofuran-3-yl)-5-fluoro-1H-indol-7-yl]-6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;6-ethyl-9-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;6-ethyl-9-fluoro-8-(5-fluoro-3-iodo-1H-indol-7-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;6-ethyl-9-fluoro-8-[5-fluoro-3-(oxolan-3-yl)-1H-indol-7-yl]-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole is sourced from PubChem (CID 167682214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).