potassium;2-bromo-5-chloropyrazine;(3R)-4-[2-[4-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[2-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]pyrimidin-5-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]pyrimidin-5-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethyl-4-[2-(4-piperidin-4-ylphenoxy)ethyl]piperazin-2-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;hydroxide

C136H167BBr2ClKN26O18S2 — CID 163609696

About potassium;2-bromo-5-chloropyrazine;(3R)-4-[2-[4-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[2-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]pyrimidin-5-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]pyrimidin-5-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethyl-4-[2-(4-piperidin-4-ylphenoxy)ethyl]piperazin-2-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;hydroxide

potassium;2-bromo-5-chloropyrazine;(3R)-4-[2-[4-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[2-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]pyrimidin-5-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]pyrimidin-5-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethyl-4-[2-(4-piperidin-4-ylphenoxy)ethyl]piperazin-2-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;hydroxide (PubChem CID 163609696) has the molecular formula C136H167BBr2ClKN26O18S2 and a molecular weight of 2763.30 g/mol. Its IUPAC name is potassium;2-bromo-5-chloropyrazine;(3R)-4-[2-[4-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[2-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]pyrimidin-5-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]pyrimidin-5-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethyl-4-[2-(4-piperidin-4-ylphenoxy)ethyl]piperazin-2-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;hydroxide.

Molecular Properties

• Compound Name: potassium;2-bromo-5-chloropyrazine;(3R)-4-[2-[4-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[2-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]pyrimidin-5-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]pyrimidin-5-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethyl-4-[2-(4-piperidin-4-ylphenoxy)ethyl]piperazin-2-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;hydroxide
• PubChem CID: 163609696
• Molecular Formula: C136H167BBr2ClKN26O18S2
• Molecular Weight: 2763.30 g/mol
• Exact Mass: 2759.02
• IUPAC Name: potassium;2-bromo-5-chloropyrazine;(3R)-4-[2-[4-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[2-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]pyrimidin-5-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]pyrimidin-5-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethyl-4-[2-(4-piperidin-4-ylphenoxy)ethyl]piperazin-2-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;hydroxide
• SMILES: C[C@@H]1C(=O)N(C)CCN1CCOc1ccc(C2CCN(c3ncc(-c4cn(C)c(=O)c5[nH]ccc45)cn3)CC2)cc1.C[C@@H]1C(=O)N(C)CCN1CCOc1ccc(C2CCN(c3ncc(Br)cn3)CC2)cc1.C[C@@H]1C(=O)N(C)CCN1CCOc1ccc(C2CCNCC2)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4cnc(N5CCC(c6ccc(OCCN7CCN(C)C(=O)[C@H]7C)cc6)CC5)nc4)cn(C)c(=O)c32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(B4OC(C)(C)C(C)(C)O4)cn(C)c(=O)c32)cc1.Clc1cnc(Br)cn1.[K+].[OH-]
• InChI: InChI=1S/C38H43N7O5S.C31H37N7O3.C23H30BrN5O2.C21H25BN2O5S.C19H29N3O2.C4H2BrClN2.K.H2O/c1-26-5-11-32(12-6-26)51(48,49)45-18-15-33-34(25-42(4)37(47)35(33)45)30-23-39-38(40-24-30)44-16-13-29(14-17-44)28-7-9-31(10-8-28)50-22-21-43-20-19-41(3)36(46)27(43)2;1-21-29(39)35(2)14-15-37(21)16-17-41-25-6-4-22(5-7-25)23-9-12-38(13-10-23)31-33-18-24(19-34-31)27-20-36(3)30(40)28-26(27)8-11-32-28;1-17-22(30)27(2)11-12-28(17)13-14-31-21-5-3-18(4-6-21)19-7-9-29(10-8-19)23-25-15-20(24)16-26-23;1-14-7-9-15(10-8-14)30(26,27)24-12-11-16-17(13-23(6)19(25)18(16)24)22-28-20(2,3)21(4,5)29-22;1-15-19(23)21(2)11-12-22(15)13-14-24-18-5-3-16(4-6-18)17-7-9-20-10-8-17;5-3-1-8-4(6)2-7-3;;/h5-12,15,18,23-25,27,29H,13-14,16-17,19-22H2,1-4H3;4-8,11,18-21,23,32H,9-10,12-17H2,1-3H3;3-6,15-17,19H,7-14H2,1-2H3;7-13H,1-6H3;3-6,15,17,20H,7-14H2,1-2H3;1-2H;;1H2/q;;;;;;+1;/p-1/t27-;21-;17-;;15-;;;/m111.1.../s1
• InChIKey: HEVOWIUFXJAFJE-FXXLZJABSA-M
• XLogP: 13.28
• TPSA: 464.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 39
• Rotatable Bonds: 30
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2763.30
LogP ≤ 5	13.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of potassium;2-bromo-5-chloropyrazine;(3R)-4-[2-[4-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[2-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]pyrimidin-5-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]pyrimidin-5-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethyl-4-[2-(4-piperidin-4-ylphenoxy)ethyl]piperazin-2-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;hydroxide?

The IUPAC name of potassium;2-bromo-5-chloropyrazine;(3R)-4-[2-[4-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[2-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]pyrimidin-5-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]pyrimidin-5-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethyl-4-[2-(4-piperidin-4-ylphenoxy)ethyl]piperazin-2-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;hydroxide (CID 163609696) is potassium;2-bromo-5-chloropyrazine;(3R)-4-[2-[4-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[2-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]pyrimidin-5-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]pyrimidin-5-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethyl-4-[2-(4-piperidin-4-ylphenoxy)ethyl]piperazin-2-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;hydroxide.

What is the SMILES notation for potassium;2-bromo-5-chloropyrazine;(3R)-4-[2-[4-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[2-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]pyrimidin-5-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]pyrimidin-5-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethyl-4-[2-(4-piperidin-4-ylphenoxy)ethyl]piperazin-2-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;hydroxide?

The canonical SMILES for potassium;2-bromo-5-chloropyrazine;(3R)-4-[2-[4-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[2-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]pyrimidin-5-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]pyrimidin-5-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethyl-4-[2-(4-piperidin-4-ylphenoxy)ethyl]piperazin-2-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;hydroxide is C[C@@H]1C(=O)N(C)CCN1CCOc1ccc(C2CCN(c3ncc(-c4cn(C)c(=O)c5[nH]ccc45)cn3)CC2)cc1.C[C@@H]1C(=O)N(C)CCN1CCOc1ccc(C2CCN(c3ncc(Br)cn3)CC2)cc1.C[C@@H]1C(=O)N(C)CCN1CCOc1ccc(C2CCNCC2)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4cnc(N5CCC(c6ccc(OCCN7CCN(C)C(=O)[C@H]7C)cc6)CC5)nc4)cn(C)c(=O)c32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(B4OC(C)(C)C(C)(C)O4)cn(C)c(=O)c32)cc1.Clc1cnc(Br)cn1.[K+].[OH-].

What is the InChIKey of potassium;2-bromo-5-chloropyrazine;(3R)-4-[2-[4-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[2-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]pyrimidin-5-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]pyrimidin-5-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethyl-4-[2-(4-piperidin-4-ylphenoxy)ethyl]piperazin-2-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;hydroxide?

The InChIKey is HEVOWIUFXJAFJE-FXXLZJABSA-M. The full InChI is InChI=1S/C38H43N7O5S.C31H37N7O3.C23H30BrN5O2.C21H25BN2O5S.C19H29N3O2.C4H2BrClN2.K.H2O/c1-26-5-11-32(12-6-26)51(48,49)45-18-15-33-34(25-42(4)37(47)35(33)45)30-23-39-38(40-24-30)44-16-13-29(14-17-44)28-7-9-31(10-8-28)50-22-21-43-20-19-41(3)36(46)27(43)2;1-21-29(39)35(2)14-15-37(21)16-17-41-25-6-4-22(5-7-25)23-9-12-38(13-10-23)31-33-18-24(19-34-31)27-20-36(3)30(40)28-26(27)8-11-32-28;1-17-22(30)27(2)11-12-28(17)13-14-31-21-5-3-18(4-6-21)19-7-9-29(10-8-19)23-25-15-20(24)16-26-23;1-14-7-9-15(10-8-14)30(26,27)24-12-11-16-17(13-23(6)19(25)18(16)24)22-28-20(2,3)21(4,5)29-22;1-15-19(23)21(2)11-12-22(15)13-14-24-18-5-3-16(4-6-18)17-7-9-20-10-8-17;5-3-1-8-4(6)2-7-3;;/h5-12,15,18,23-25,27,29H,13-14,16-17,19-22H2,1-4H3;4-8,11,18-21,23,32H,9-10,12-17H2,1-3H3;3-6,15-17,19H,7-14H2,1-2H3;7-13H,1-6H3;3-6,15,17,20H,7-14H2,1-2H3;1-2H;;1H2/q;;;;;;+1;/p-1/t27-;21-;17-;;15-;;;/m111.1.../s1.

What are the key properties of potassium;2-bromo-5-chloropyrazine;(3R)-4-[2-[4-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[2-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]pyrimidin-5-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]pyrimidin-5-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethyl-4-[2-(4-piperidin-4-ylphenoxy)ethyl]piperazin-2-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;hydroxide?

potassium;2-bromo-5-chloropyrazine;(3R)-4-[2-[4-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[2-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]pyrimidin-5-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]pyrimidin-5-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethyl-4-[2-(4-piperidin-4-ylphenoxy)ethyl]piperazin-2-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;hydroxide has a molecular weight of 2763.30 g/mol, XLogP of 13.28, 30 rotatable bonds, 2 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;2-bromo-5-chloropyrazine;(3R)-4-[2-[4-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[2-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]pyrimidin-5-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]pyrimidin-5-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethyl-4-[2-(4-piperidin-4-ylphenoxy)ethyl]piperazin-2-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;hydroxide is sourced from PubChem (CID 163609696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).