potassium;(3R)-4-[2-[(6-bromo-3-pyridinyl)oxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[6-[5-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-2-pyridinyl]quinolin-2-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[5-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-2-pyridinyl]quinolin-2-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]pyrrolo[2,3-c]pyridin-7-one;hydroxide

C110H115BBrKN18O16S2 — CID 163937091

About potassium;(3R)-4-[2-[(6-bromo-3-pyridinyl)oxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[6-[5-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-2-pyridinyl]quinolin-2-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[5-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-2-pyridinyl]quinolin-2-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]pyrrolo[2,3-c]pyridin-7-one;hydroxide

potassium;(3R)-4-[2-[(6-bromo-3-pyridinyl)oxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[6-[5-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-2-pyridinyl]quinolin-2-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[5-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-2-pyridinyl]quinolin-2-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]pyrrolo[2,3-c]pyridin-7-one;hydroxide (PubChem CID 163937091) has the molecular formula C110H115BBrKN18O16S2 and a molecular weight of 2139.19 g/mol. Its IUPAC name is potassium;(3R)-4-[2-[(6-bromo-3-pyridinyl)oxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[6-[5-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-2-pyridinyl]quinolin-2-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[5-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-2-pyridinyl]quinolin-2-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]pyrrolo[2,3-c]pyridin-7-one;hydroxide.

Molecular Properties

• Compound Name: potassium;(3R)-4-[2-[(6-bromo-3-pyridinyl)oxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[6-[5-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-2-pyridinyl]quinolin-2-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[5-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-2-pyridinyl]quinolin-2-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]pyrrolo[2,3-c]pyridin-7-one;hydroxide
• PubChem CID: 163937091
• Molecular Formula: C110H115BBrKN18O16S2
• Molecular Weight: 2139.19 g/mol
• Exact Mass: 2136.71
• IUPAC Name: potassium;(3R)-4-[2-[(6-bromo-3-pyridinyl)oxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[6-[5-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-2-pyridinyl]quinolin-2-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[5-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-2-pyridinyl]quinolin-2-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]pyrrolo[2,3-c]pyridin-7-one;hydroxide
• SMILES: C[C@@H]1C(=O)N(C)CCN1CCOc1ccc(-c2ccc3nc(-c4cn(C)c(=O)c5[nH]ccc45)ccc3c2)nc1.C[C@@H]1C(=O)N(C)CCN1CCOc1ccc(Br)nc1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc5cc(-c6ccc(OCCN7CCN(C)C(=O)[C@H]7C)cn6)ccc5n4)cn(C)c(=O)c32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc5cc(B6OC(C)(C)C(C)(C)O6)ccc5n4)cn(C)c(=O)c32)cc1.[K+].[OH-]
• InChI: InChI=1S/C37H36N6O5S.C30H30BN3O5S.C30H30N6O3.C13H18BrN3O2.K.H2O/c1-24-5-10-29(11-6-24)49(46,47)43-16-15-30-31(23-41(4)37(45)35(30)43)34-13-8-27-21-26(7-12-33(27)39-34)32-14-9-28(22-38-32)48-20-19-42-18-17-40(3)36(44)25(42)2;1-19-7-11-22(12-8-19)40(36,37)34-16-15-23-24(18-33(6)28(35)27(23)34)26-13-9-20-17-21(10-14-25(20)32-26)31-38-29(2,3)30(4,5)39-31;1-19-29(37)34(2)12-13-36(19)14-15-39-22-6-9-25(32-17-22)20-4-7-26-21(16-20)5-8-27(33-26)24-18-35(3)30(38)28-23(24)10-11-31-28;1-10-13(18)16(2)5-6-17(10)7-8-19-11-3-4-12(14)15-9-11;;/h5-16,21-23,25H,17-20H2,1-4H3;7-18H,1-6H3;4-11,16-19,31H,12-15H2,1-3H3;3-4,9-10H,5-8H2,1-2H3;;1H2/q;;;;+1;/p-1/t25-;;19-;10-;;/m1.11../s1
• InChIKey: RNTLAUFAUYQQTF-LYTDVGTISA-M
• XLogP: 11.00
• TPSA: 384.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 30
• Rotatable Bonds: 22
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2139.19
LogP ≤ 5	11.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;(3R)-4-[2-[(6-bromo-3-pyridinyl)oxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[6-[5-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-2-pyridinyl]quinolin-2-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[5-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-2-pyridinyl]quinolin-2-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]pyrrolo[2,3-c]pyridin-7-one;hydroxide?

The IUPAC name of potassium;(3R)-4-[2-[(6-bromo-3-pyridinyl)oxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[6-[5-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-2-pyridinyl]quinolin-2-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[5-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-2-pyridinyl]quinolin-2-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]pyrrolo[2,3-c]pyridin-7-one;hydroxide (CID 163937091) is potassium;(3R)-4-[2-[(6-bromo-3-pyridinyl)oxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[6-[5-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-2-pyridinyl]quinolin-2-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[5-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-2-pyridinyl]quinolin-2-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]pyrrolo[2,3-c]pyridin-7-one;hydroxide.

What is the SMILES notation for potassium;(3R)-4-[2-[(6-bromo-3-pyridinyl)oxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[6-[5-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-2-pyridinyl]quinolin-2-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[5-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-2-pyridinyl]quinolin-2-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]pyrrolo[2,3-c]pyridin-7-one;hydroxide?

The canonical SMILES for potassium;(3R)-4-[2-[(6-bromo-3-pyridinyl)oxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[6-[5-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-2-pyridinyl]quinolin-2-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[5-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-2-pyridinyl]quinolin-2-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]pyrrolo[2,3-c]pyridin-7-one;hydroxide is C[C@@H]1C(=O)N(C)CCN1CCOc1ccc(-c2ccc3nc(-c4cn(C)c(=O)c5[nH]ccc45)ccc3c2)nc1.C[C@@H]1C(=O)N(C)CCN1CCOc1ccc(Br)nc1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc5cc(-c6ccc(OCCN7CCN(C)C(=O)[C@H]7C)cn6)ccc5n4)cn(C)c(=O)c32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc5cc(B6OC(C)(C)C(C)(C)O6)ccc5n4)cn(C)c(=O)c32)cc1.[K+].[OH-].

What is the InChIKey of potassium;(3R)-4-[2-[(6-bromo-3-pyridinyl)oxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[6-[5-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-2-pyridinyl]quinolin-2-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[5-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-2-pyridinyl]quinolin-2-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]pyrrolo[2,3-c]pyridin-7-one;hydroxide?

The InChIKey is RNTLAUFAUYQQTF-LYTDVGTISA-M. The full InChI is InChI=1S/C37H36N6O5S.C30H30BN3O5S.C30H30N6O3.C13H18BrN3O2.K.H2O/c1-24-5-10-29(11-6-24)49(46,47)43-16-15-30-31(23-41(4)37(45)35(30)43)34-13-8-27-21-26(7-12-33(27)39-34)32-14-9-28(22-38-32)48-20-19-42-18-17-40(3)36(44)25(42)2;1-19-7-11-22(12-8-19)40(36,37)34-16-15-23-24(18-33(6)28(35)27(23)34)26-13-9-20-17-21(10-14-25(20)32-26)31-38-29(2,3)30(4,5)39-31;1-19-29(37)34(2)12-13-36(19)14-15-39-22-6-9-25(32-17-22)20-4-7-26-21(16-20)5-8-27(33-26)24-18-35(3)30(38)28-23(24)10-11-31-28;1-10-13(18)16(2)5-6-17(10)7-8-19-11-3-4-12(14)15-9-11;;/h5-16,21-23,25H,17-20H2,1-4H3;7-18H,1-6H3;4-11,16-19,31H,12-15H2,1-3H3;3-4,9-10H,5-8H2,1-2H3;;1H2/q;;;;+1;/p-1/t25-;;19-;10-;;/m1.11../s1.

What are the key properties of potassium;(3R)-4-[2-[(6-bromo-3-pyridinyl)oxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[6-[5-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-2-pyridinyl]quinolin-2-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[5-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-2-pyridinyl]quinolin-2-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]pyrrolo[2,3-c]pyridin-7-one;hydroxide?

potassium;(3R)-4-[2-[(6-bromo-3-pyridinyl)oxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[6-[5-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-2-pyridinyl]quinolin-2-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[5-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-2-pyridinyl]quinolin-2-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]pyrrolo[2,3-c]pyridin-7-one;hydroxide has a molecular weight of 2139.19 g/mol, XLogP of 11.00, 22 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;(3R)-4-[2-[(6-bromo-3-pyridinyl)oxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[6-[5-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-2-pyridinyl]quinolin-2-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[5-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-2-pyridinyl]quinolin-2-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]pyrrolo[2,3-c]pyridin-7-one;hydroxide is sourced from PubChem (CID 163937091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).