sodium;8-bromo-9-(difluoromethyl)-7-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-(difluoromethyl)-7-fluoro-8-(7-fluoro-1H-indol-3-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-(difluoromethyl)-7-fluoro-8-(7-fluoro-1-methylsulfonylindol-3-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-1-methylsulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;hydroxyazanide

C71H69BBrF12N16NaO7S2 — CID 167582448

About sodium;8-bromo-9-(difluoromethyl)-7-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-(difluoromethyl)-7-fluoro-8-(7-fluoro-1H-indol-3-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-(difluoromethyl)-7-fluoro-8-(7-fluoro-1-methylsulfonylindol-3-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-1-methylsulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;hydroxyazanide

sodium;8-bromo-9-(difluoromethyl)-7-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-(difluoromethyl)-7-fluoro-8-(7-fluoro-1H-indol-3-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-(difluoromethyl)-7-fluoro-8-(7-fluoro-1-methylsulfonylindol-3-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-1-methylsulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;hydroxyazanide (PubChem CID 167582448) has the molecular formula C71H69BBrF12N16NaO7S2 and a molecular weight of 1664.25 g/mol. Its IUPAC name is sodium;8-bromo-9-(difluoromethyl)-7-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-(difluoromethyl)-7-fluoro-8-(7-fluoro-1H-indol-3-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-(difluoromethyl)-7-fluoro-8-(7-fluoro-1-methylsulfonylindol-3-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-1-methylsulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;hydroxyazanide.

Molecular Properties

• Compound Name: sodium;8-bromo-9-(difluoromethyl)-7-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-(difluoromethyl)-7-fluoro-8-(7-fluoro-1H-indol-3-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-(difluoromethyl)-7-fluoro-8-(7-fluoro-1-methylsulfonylindol-3-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-1-methylsulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;hydroxyazanide
• PubChem CID: 167582448
• Molecular Formula: C71H69BBrF12N16NaO7S2
• Molecular Weight: 1664.25 g/mol
• Exact Mass: 1662.40
• IUPAC Name: sodium;8-bromo-9-(difluoromethyl)-7-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-(difluoromethyl)-7-fluoro-8-(7-fluoro-1H-indol-3-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-(difluoromethyl)-7-fluoro-8-(7-fluoro-1-methylsulfonylindol-3-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-1-methylsulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;hydroxyazanide
• SMILES: CC1(C)OB(c2cn(S(C)(=O)=O)c3c(F)cccc23)OC1(C)C.Cc1nnc2n1-c1c(cc(F)c(-c3c[nH]c4c(F)cccc34)c1C(F)F)NC2(C)C.Cc1nnc2n1-c1c(cc(F)c(-c3cn(S(C)(=O)=O)c4c(F)cccc34)c1C(F)F)NC2(C)C.Cc1nnc2n1-c1c(cc(F)c(Br)c1C(F)F)NC2(C)C.[NH-]O.[Na+]
• InChI: InChI=1S/C22H19F4N5O2S.C21H17F4N5.C15H19BFNO4S.C13H12BrF3N4.H2NO.Na/c1-10-28-29-21-22(2,3)27-15-8-14(24)16(17(20(25)26)19(15)31(10)21)12-9-30(34(4,32)33)18-11(12)6-5-7-13(18)23;1-9-28-29-20-21(2,3)27-14-7-13(23)15(16(19(24)25)18(14)30(9)20)11-8-26-17-10(11)5-4-6-12(17)22;1-14(2)15(3,4)22-16(21-14)11-9-18(23(5,19)20)13-10(11)7-6-8-12(13)17;1-5-19-20-12-13(2,3)18-7-4-6(15)9(14)8(11(16)17)10(7)21(5)12;1-2;/h5-9,20,27H,1-4H3;4-8,19,26-27H,1-3H3;6-9H,1-5H3;4,11,18H,1-3H3;1-2H;/q;;;;-1;+1
• InChIKey: HIWILZPIIXKKLL-UHFFFAOYSA-N
• XLogP: 13.88
• TPSA: 284.64 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 8
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1664.25
LogP ≤ 5	13.88
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;8-bromo-9-(difluoromethyl)-7-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-(difluoromethyl)-7-fluoro-8-(7-fluoro-1H-indol-3-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-(difluoromethyl)-7-fluoro-8-(7-fluoro-1-methylsulfonylindol-3-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-1-methylsulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;hydroxyazanide?

The IUPAC name of sodium;8-bromo-9-(difluoromethyl)-7-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-(difluoromethyl)-7-fluoro-8-(7-fluoro-1H-indol-3-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-(difluoromethyl)-7-fluoro-8-(7-fluoro-1-methylsulfonylindol-3-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-1-methylsulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;hydroxyazanide (CID 167582448) is sodium;8-bromo-9-(difluoromethyl)-7-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-(difluoromethyl)-7-fluoro-8-(7-fluoro-1H-indol-3-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-(difluoromethyl)-7-fluoro-8-(7-fluoro-1-methylsulfonylindol-3-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-1-methylsulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;hydroxyazanide.

What is the SMILES notation for sodium;8-bromo-9-(difluoromethyl)-7-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-(difluoromethyl)-7-fluoro-8-(7-fluoro-1H-indol-3-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-(difluoromethyl)-7-fluoro-8-(7-fluoro-1-methylsulfonylindol-3-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-1-methylsulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;hydroxyazanide?

The canonical SMILES for sodium;8-bromo-9-(difluoromethyl)-7-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-(difluoromethyl)-7-fluoro-8-(7-fluoro-1H-indol-3-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-(difluoromethyl)-7-fluoro-8-(7-fluoro-1-methylsulfonylindol-3-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-1-methylsulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;hydroxyazanide is CC1(C)OB(c2cn(S(C)(=O)=O)c3c(F)cccc23)OC1(C)C.Cc1nnc2n1-c1c(cc(F)c(-c3c[nH]c4c(F)cccc34)c1C(F)F)NC2(C)C.Cc1nnc2n1-c1c(cc(F)c(-c3cn(S(C)(=O)=O)c4c(F)cccc34)c1C(F)F)NC2(C)C.Cc1nnc2n1-c1c(cc(F)c(Br)c1C(F)F)NC2(C)C.[NH-]O.[Na+].

What is the InChIKey of sodium;8-bromo-9-(difluoromethyl)-7-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-(difluoromethyl)-7-fluoro-8-(7-fluoro-1H-indol-3-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-(difluoromethyl)-7-fluoro-8-(7-fluoro-1-methylsulfonylindol-3-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-1-methylsulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;hydroxyazanide?

The InChIKey is HIWILZPIIXKKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F4N5O2S.C21H17F4N5.C15H19BFNO4S.C13H12BrF3N4.H2NO.Na/c1-10-28-29-21-22(2,3)27-15-8-14(24)16(17(20(25)26)19(15)31(10)21)12-9-30(34(4,32)33)18-11(12)6-5-7-13(18)23;1-9-28-29-20-21(2,3)27-14-7-13(23)15(16(19(24)25)18(14)30(9)20)11-8-26-17-10(11)5-4-6-12(17)22;1-14(2)15(3,4)22-16(21-14)11-9-18(23(5,19)20)13-10(11)7-6-8-12(13)17;1-5-19-20-12-13(2,3)18-7-4-6(15)9(14)8(11(16)17)10(7)21(5)12;1-2;/h5-9,20,27H,1-4H3;4-8,19,26-27H,1-3H3;6-9H,1-5H3;4,11,18H,1-3H3;1-2H;/q;;;;-1;+1.

What are the key properties of sodium;8-bromo-9-(difluoromethyl)-7-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-(difluoromethyl)-7-fluoro-8-(7-fluoro-1H-indol-3-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-(difluoromethyl)-7-fluoro-8-(7-fluoro-1-methylsulfonylindol-3-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-1-methylsulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;hydroxyazanide?

sodium;8-bromo-9-(difluoromethyl)-7-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-(difluoromethyl)-7-fluoro-8-(7-fluoro-1H-indol-3-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-(difluoromethyl)-7-fluoro-8-(7-fluoro-1-methylsulfonylindol-3-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-1-methylsulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;hydroxyazanide has a molecular weight of 1664.25 g/mol, XLogP of 13.88, 8 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;8-bromo-9-(difluoromethyl)-7-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-(difluoromethyl)-7-fluoro-8-(7-fluoro-1H-indol-3-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;9-(difluoromethyl)-7-fluoro-8-(7-fluoro-1-methylsulfonylindol-3-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-1-methylsulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;hydroxyazanide is sourced from PubChem (CID 167582448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).