potassium;azane;[1-[(5-bromo-3-methoxypyrazin-2-yl)methyl]azetidin-3-yl]oxy-tert-butyl-dimethylsilane;2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-methylazetidin-1-yl)methyl]pyrazin-2-yl]phenyl]aniline;2-chloro-3-[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline;hydride;hydrate

C55H74BBrCl4KN9O6Si — CID 167638782

About potassium;azane;[1-[(5-bromo-3-methoxypyrazin-2-yl)methyl]azetidin-3-yl]oxy-tert-butyl-dimethylsilane;2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-methylazetidin-1-yl)methyl]pyrazin-2-yl]phenyl]aniline;2-chloro-3-[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline;hydride;hydrate

potassium;azane;[1-[(5-bromo-3-methoxypyrazin-2-yl)methyl]azetidin-3-yl]oxy-tert-butyl-dimethylsilane;2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-methylazetidin-1-yl)methyl]pyrazin-2-yl]phenyl]aniline;2-chloro-3-[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline;hydride;hydrate (PubChem CID 167638782) has the molecular formula C55H74BBrCl4KN9O6Si and a molecular weight of 1256.97 g/mol. Its IUPAC name is potassium;azane;[1-[(5-bromo-3-methoxypyrazin-2-yl)methyl]azetidin-3-yl]oxy-tert-butyl-dimethylsilane;2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-methylazetidin-1-yl)methyl]pyrazin-2-yl]phenyl]aniline;2-chloro-3-[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline;hydride;hydrate.

Molecular Properties

• Compound Name: potassium;azane;[1-[(5-bromo-3-methoxypyrazin-2-yl)methyl]azetidin-3-yl]oxy-tert-butyl-dimethylsilane;2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-methylazetidin-1-yl)methyl]pyrazin-2-yl]phenyl]aniline;2-chloro-3-[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline;hydride;hydrate
• PubChem CID: 167638782
• Molecular Formula: C55H74BBrCl4KN9O6Si
• Molecular Weight: 1256.97 g/mol
• Exact Mass: 1253.32
• IUPAC Name: potassium;azane;[1-[(5-bromo-3-methoxypyrazin-2-yl)methyl]azetidin-3-yl]oxy-tert-butyl-dimethylsilane;2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-methylazetidin-1-yl)methyl]pyrazin-2-yl]phenyl]aniline;2-chloro-3-[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline;hydride;hydrate
• SMILES: CC1(C)OB(c2cccc(-c3cccc(N)c3Cl)c2Cl)OC1(C)C.COc1nc(-c2cccc(-c3cccc(N)c3Cl)c2Cl)cnc1CN1CC(C)C1.COc1nc(Br)cnc1CN1CC(O[Si](C)(C)C(C)(C)C)C1.N.O.[H-].[K+]
• InChI: InChI=1S/C22H22Cl2N4O.C18H20BCl2NO2.C15H26BrN3O2Si.K.H3N.H2O.H/c1-13-10-28(11-13)12-19-22(29-2)27-18(9-26-19)16-7-3-5-14(20(16)23)15-6-4-8-17(25)21(15)24;1-17(2)18(3,4)24-19(23-17)13-9-5-7-11(15(13)20)12-8-6-10-14(22)16(12)21;1-15(2,3)22(5,6)21-11-8-19(9-11)10-12-14(20-4)18-13(16)7-17-12;;;;/h3-9,13H,10-12,25H2,1-2H3;5-10H,22H2,1-4H3;7,11H,8-10H2,1-6H3;;1H3;1H2;/q;;;+1;;;-1
• InChIKey: ZYKGPKHUDFFNHT-UHFFFAOYSA-N
• XLogP: 9.61
• TPSA: 222.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1256.97
LogP ≤ 5	9.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of potassium;azane;[1-[(5-bromo-3-methoxypyrazin-2-yl)methyl]azetidin-3-yl]oxy-tert-butyl-dimethylsilane;2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-methylazetidin-1-yl)methyl]pyrazin-2-yl]phenyl]aniline;2-chloro-3-[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline;hydride;hydrate?

The IUPAC name of potassium;azane;[1-[(5-bromo-3-methoxypyrazin-2-yl)methyl]azetidin-3-yl]oxy-tert-butyl-dimethylsilane;2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-methylazetidin-1-yl)methyl]pyrazin-2-yl]phenyl]aniline;2-chloro-3-[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline;hydride;hydrate (CID 167638782) is potassium;azane;[1-[(5-bromo-3-methoxypyrazin-2-yl)methyl]azetidin-3-yl]oxy-tert-butyl-dimethylsilane;2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-methylazetidin-1-yl)methyl]pyrazin-2-yl]phenyl]aniline;2-chloro-3-[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline;hydride;hydrate.

What is the SMILES notation for potassium;azane;[1-[(5-bromo-3-methoxypyrazin-2-yl)methyl]azetidin-3-yl]oxy-tert-butyl-dimethylsilane;2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-methylazetidin-1-yl)methyl]pyrazin-2-yl]phenyl]aniline;2-chloro-3-[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline;hydride;hydrate?

The canonical SMILES for potassium;azane;[1-[(5-bromo-3-methoxypyrazin-2-yl)methyl]azetidin-3-yl]oxy-tert-butyl-dimethylsilane;2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-methylazetidin-1-yl)methyl]pyrazin-2-yl]phenyl]aniline;2-chloro-3-[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline;hydride;hydrate is CC1(C)OB(c2cccc(-c3cccc(N)c3Cl)c2Cl)OC1(C)C.COc1nc(-c2cccc(-c3cccc(N)c3Cl)c2Cl)cnc1CN1CC(C)C1.COc1nc(Br)cnc1CN1CC(O[Si](C)(C)C(C)(C)C)C1.N.O.[H-].[K+].

What is the InChIKey of potassium;azane;[1-[(5-bromo-3-methoxypyrazin-2-yl)methyl]azetidin-3-yl]oxy-tert-butyl-dimethylsilane;2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-methylazetidin-1-yl)methyl]pyrazin-2-yl]phenyl]aniline;2-chloro-3-[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline;hydride;hydrate?

The InChIKey is ZYKGPKHUDFFNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N4O.C18H20BCl2NO2.C15H26BrN3O2Si.K.H3N.H2O.H/c1-13-10-28(11-13)12-19-22(29-2)27-18(9-26-19)16-7-3-5-14(20(16)23)15-6-4-8-17(25)21(15)24;1-17(2)18(3,4)24-19(23-17)13-9-5-7-11(15(13)20)12-8-6-10-14(22)16(12)21;1-15(2,3)22(5,6)21-11-8-19(9-11)10-12-14(20-4)18-13(16)7-17-12;;;;/h3-9,13H,10-12,25H2,1-2H3;5-10H,22H2,1-4H3;7,11H,8-10H2,1-6H3;;1H3;1H2;/q;;;+1;;;-1.

What are the key properties of potassium;azane;[1-[(5-bromo-3-methoxypyrazin-2-yl)methyl]azetidin-3-yl]oxy-tert-butyl-dimethylsilane;2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-methylazetidin-1-yl)methyl]pyrazin-2-yl]phenyl]aniline;2-chloro-3-[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline;hydride;hydrate?

potassium;azane;[1-[(5-bromo-3-methoxypyrazin-2-yl)methyl]azetidin-3-yl]oxy-tert-butyl-dimethylsilane;2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-methylazetidin-1-yl)methyl]pyrazin-2-yl]phenyl]aniline;2-chloro-3-[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline;hydride;hydrate has a molecular weight of 1256.97 g/mol, XLogP of 9.61, 12 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;azane;[1-[(5-bromo-3-methoxypyrazin-2-yl)methyl]azetidin-3-yl]oxy-tert-butyl-dimethylsilane;2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-methylazetidin-1-yl)methyl]pyrazin-2-yl]phenyl]aniline;2-chloro-3-[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline;hydride;hydrate is sourced from PubChem (CID 167638782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).