8-(3-bromo-5-fluoro-1H-indol-7-yl)-7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;tert-butyl 3-bromo-5-fluoro-7-(7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)indole-1-carboxylate;tert-butyl 3-cyclopropyl-5-fluoro-7-(7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)indole-1-carboxylate;cyclopropylboronic acid;8-(3-cyclopropyl-5-fluoro-1H-indol-7-yl)-7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline

C124H124BBr2F10N25O6 — CID 159739536

About 8-(3-bromo-5-fluoro-1H-indol-7-yl)-7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;tert-butyl 3-bromo-5-fluoro-7-(7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)indole-1-carboxylate;tert-butyl 3-cyclopropyl-5-fluoro-7-(7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)indole-1-carboxylate;cyclopropylboronic acid;8-(3-cyclopropyl-5-fluoro-1H-indol-7-yl)-7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline

8-(3-bromo-5-fluoro-1H-indol-7-yl)-7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;tert-butyl 3-bromo-5-fluoro-7-(7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)indole-1-carboxylate;tert-butyl 3-cyclopropyl-5-fluoro-7-(7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)indole-1-carboxylate;cyclopropylboronic acid;8-(3-cyclopropyl-5-fluoro-1H-indol-7-yl)-7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 159739536) has the molecular formula C124H124BBr2F10N25O6 and a molecular weight of 2421.12 g/mol. Its IUPAC name is 8-(3-bromo-5-fluoro-1H-indol-7-yl)-7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;tert-butyl 3-bromo-5-fluoro-7-(7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)indole-1-carboxylate;tert-butyl 3-cyclopropyl-5-fluoro-7-(7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)indole-1-carboxylate;cyclopropylboronic acid;8-(3-cyclopropyl-5-fluoro-1H-indol-7-yl)-7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

• Compound Name: 8-(3-bromo-5-fluoro-1H-indol-7-yl)-7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;tert-butyl 3-bromo-5-fluoro-7-(7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)indole-1-carboxylate;tert-butyl 3-cyclopropyl-5-fluoro-7-(7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)indole-1-carboxylate;cyclopropylboronic acid;8-(3-cyclopropyl-5-fluoro-1H-indol-7-yl)-7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline
• PubChem CID: 159739536
• Molecular Formula: C124H124BBr2F10N25O6
• Molecular Weight: 2421.12 g/mol
• Exact Mass: 2417.85
• IUPAC Name: 8-(3-bromo-5-fluoro-1H-indol-7-yl)-7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;tert-butyl 3-bromo-5-fluoro-7-(7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)indole-1-carboxylate;tert-butyl 3-cyclopropyl-5-fluoro-7-(7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)indole-1-carboxylate;cyclopropylboronic acid;8-(3-cyclopropyl-5-fluoro-1H-indol-7-yl)-7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline
• SMILES: Cc1c(-c2cc(F)cc3c(Br)c[nH]c23)c(F)cc2c1-n1c(C)nnc1C(C)(C)N2.Cc1c(-c2cc(F)cc3c(Br)cn(C(=O)OC(C)(C)C)c23)c(F)cc2c1-n1c(C)nnc1C(C)(C)N2.Cc1c(-c2cc(F)cc3c(C4CC4)c[nH]c23)c(F)cc2c1-n1c(C)nnc1C(C)(C)N2.Cc1c(-c2cc(F)cc3c(C4CC4)cn(C(=O)OC(C)(C)C)c23)c(F)cc2c1-n1c(C)nnc1C(C)(C)N2.Cc1c(-c2cc(F)cc3cc[nH]c23)c(F)cc2c1-n1c(C)nnc1C(C)(C)N2.OB(O)C1CC1
• InChI: InChI=1S/C29H31F2N5O2.C26H26BrF2N5O2.C24H23F2N5.C21H18BrF2N5.C21H19F2N5.C3H7BO2/c1-14-23(21(31)12-22-24(14)36-15(2)33-34-26(36)29(6,7)32-22)19-11-17(30)10-18-20(16-8-9-16)13-35(25(18)19)27(37)38-28(3,4)5;1-12-20(18(29)10-19-21(12)34-13(2)31-32-23(34)26(6,7)30-19)16-9-14(28)8-15-17(27)11-33(22(15)16)24(35)36-25(3,4)5;1-11-20(16-8-14(25)7-15-17(13-5-6-13)10-27-21(15)16)18(26)9-19-22(11)31-12(2)29-30-23(31)24(3,4)28-19;1-9-17(13-6-11(23)5-12-14(22)8-25-18(12)13)15(24)7-16-19(9)29-10(2)27-28-20(29)21(3,4)26-16;1-10-17(14-8-13(22)7-12-5-6-24-18(12)14)15(23)9-16-19(10)28-11(2)26-27-20(28)21(3,4)25-16;5-4(6)3-1-2-3/h10-13,16,32H,8-9H2,1-7H3;8-11,30H,1-7H3;7-10,13,27-28H,5-6H2,1-4H3;5-8,25-26H,1-4H3;5-9,24-25H,1-4H3;3,5-6H,1-2H2
• InChIKey: NCGRPJZHHRCILG-UHFFFAOYSA-N
• XLogP: 30.27
• TPSA: 363.99 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 28
• Rotatable Bonds: 8
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2421.12
LogP ≤ 5	30.27
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-(3-bromo-5-fluoro-1H-indol-7-yl)-7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;tert-butyl 3-bromo-5-fluoro-7-(7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)indole-1-carboxylate;tert-butyl 3-cyclopropyl-5-fluoro-7-(7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)indole-1-carboxylate;cyclopropylboronic acid;8-(3-cyclopropyl-5-fluoro-1H-indol-7-yl)-7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline?

The IUPAC name of 8-(3-bromo-5-fluoro-1H-indol-7-yl)-7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;tert-butyl 3-bromo-5-fluoro-7-(7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)indole-1-carboxylate;tert-butyl 3-cyclopropyl-5-fluoro-7-(7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)indole-1-carboxylate;cyclopropylboronic acid;8-(3-cyclopropyl-5-fluoro-1H-indol-7-yl)-7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline (CID 159739536) is 8-(3-bromo-5-fluoro-1H-indol-7-yl)-7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;tert-butyl 3-bromo-5-fluoro-7-(7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)indole-1-carboxylate;tert-butyl 3-cyclopropyl-5-fluoro-7-(7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)indole-1-carboxylate;cyclopropylboronic acid;8-(3-cyclopropyl-5-fluoro-1H-indol-7-yl)-7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline.

What is the SMILES notation for 8-(3-bromo-5-fluoro-1H-indol-7-yl)-7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;tert-butyl 3-bromo-5-fluoro-7-(7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)indole-1-carboxylate;tert-butyl 3-cyclopropyl-5-fluoro-7-(7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)indole-1-carboxylate;cyclopropylboronic acid;8-(3-cyclopropyl-5-fluoro-1H-indol-7-yl)-7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline?

The canonical SMILES for 8-(3-bromo-5-fluoro-1H-indol-7-yl)-7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;tert-butyl 3-bromo-5-fluoro-7-(7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)indole-1-carboxylate;tert-butyl 3-cyclopropyl-5-fluoro-7-(7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)indole-1-carboxylate;cyclopropylboronic acid;8-(3-cyclopropyl-5-fluoro-1H-indol-7-yl)-7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline is Cc1c(-c2cc(F)cc3c(Br)c[nH]c23)c(F)cc2c1-n1c(C)nnc1C(C)(C)N2.Cc1c(-c2cc(F)cc3c(Br)cn(C(=O)OC(C)(C)C)c23)c(F)cc2c1-n1c(C)nnc1C(C)(C)N2.Cc1c(-c2cc(F)cc3c(C4CC4)c[nH]c23)c(F)cc2c1-n1c(C)nnc1C(C)(C)N2.Cc1c(-c2cc(F)cc3c(C4CC4)cn(C(=O)OC(C)(C)C)c23)c(F)cc2c1-n1c(C)nnc1C(C)(C)N2.Cc1c(-c2cc(F)cc3cc[nH]c23)c(F)cc2c1-n1c(C)nnc1C(C)(C)N2.OB(O)C1CC1.

What is the InChIKey of 8-(3-bromo-5-fluoro-1H-indol-7-yl)-7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;tert-butyl 3-bromo-5-fluoro-7-(7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)indole-1-carboxylate;tert-butyl 3-cyclopropyl-5-fluoro-7-(7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)indole-1-carboxylate;cyclopropylboronic acid;8-(3-cyclopropyl-5-fluoro-1H-indol-7-yl)-7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline?

The InChIKey is NCGRPJZHHRCILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F2N5O2.C26H26BrF2N5O2.C24H23F2N5.C21H18BrF2N5.C21H19F2N5.C3H7BO2/c1-14-23(21(31)12-22-24(14)36-15(2)33-34-26(36)29(6,7)32-22)19-11-17(30)10-18-20(16-8-9-16)13-35(25(18)19)27(37)38-28(3,4)5;1-12-20(18(29)10-19-21(12)34-13(2)31-32-23(34)26(6,7)30-19)16-9-14(28)8-15-17(27)11-33(22(15)16)24(35)36-25(3,4)5;1-11-20(16-8-14(25)7-15-17(13-5-6-13)10-27-21(15)16)18(26)9-19-22(11)31-12(2)29-30-23(31)24(3,4)28-19;1-9-17(13-6-11(23)5-12-14(22)8-25-18(12)13)15(24)7-16-19(9)29-10(2)27-28-20(29)21(3,4)26-16;1-10-17(14-8-13(22)7-12-5-6-24-18(12)14)15(23)9-16-19(10)28-11(2)26-27-20(28)21(3,4)25-16;5-4(6)3-1-2-3/h10-13,16,32H,8-9H2,1-7H3;8-11,30H,1-7H3;7-10,13,27-28H,5-6H2,1-4H3;5-8,25-26H,1-4H3;5-9,24-25H,1-4H3;3,5-6H,1-2H2.

What are the key properties of 8-(3-bromo-5-fluoro-1H-indol-7-yl)-7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;tert-butyl 3-bromo-5-fluoro-7-(7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)indole-1-carboxylate;tert-butyl 3-cyclopropyl-5-fluoro-7-(7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)indole-1-carboxylate;cyclopropylboronic acid;8-(3-cyclopropyl-5-fluoro-1H-indol-7-yl)-7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline?

8-(3-bromo-5-fluoro-1H-indol-7-yl)-7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;tert-butyl 3-bromo-5-fluoro-7-(7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)indole-1-carboxylate;tert-butyl 3-cyclopropyl-5-fluoro-7-(7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)indole-1-carboxylate;cyclopropylboronic acid;8-(3-cyclopropyl-5-fluoro-1H-indol-7-yl)-7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 2421.12 g/mol, XLogP of 30.27, 8 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(3-bromo-5-fluoro-1H-indol-7-yl)-7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;tert-butyl 3-bromo-5-fluoro-7-(7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)indole-1-carboxylate;tert-butyl 3-cyclopropyl-5-fluoro-7-(7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)indole-1-carboxylate;cyclopropylboronic acid;8-(3-cyclopropyl-5-fluoro-1H-indol-7-yl)-7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 159739536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).