potassium;1-bromo-4-nitrobenzene;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;6,8-dibromoimidazo[1,2-a]pyrazine;ethyl 3-[2-(4-amino-N-methylanilino)ethoxy]propanoate;ethyl 3-[2-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-N-methylanilino]ethoxy]propanoate;ethyl 3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanoate;ethyl 3-[2-(N-methyl-4-nitroanilino)ethoxy]propanoate;ethyl prop-2-enoate;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanoic acid;2-(methylamino)ethanol;2-(N-methyl-4-nitroanilino)ethanol;hydroxide

C149H184BBr4KN30O30 — CID 159050732

About potassium;1-bromo-4-nitrobenzene;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;6,8-dibromoimidazo[1,2-a]pyrazine;ethyl 3-[2-(4-amino-N-methylanilino)ethoxy]propanoate;ethyl 3-[2-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-N-methylanilino]ethoxy]propanoate;ethyl 3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanoate;ethyl 3-[2-(N-methyl-4-nitroanilino)ethoxy]propanoate;ethyl prop-2-enoate;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanoic acid;2-(methylamino)ethanol;2-(N-methyl-4-nitroanilino)ethanol;hydroxide

potassium;1-bromo-4-nitrobenzene;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;6,8-dibromoimidazo[1,2-a]pyrazine;ethyl 3-[2-(4-amino-N-methylanilino)ethoxy]propanoate;ethyl 3-[2-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-N-methylanilino]ethoxy]propanoate;ethyl 3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanoate;ethyl 3-[2-(N-methyl-4-nitroanilino)ethoxy]propanoate;ethyl prop-2-enoate;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanoic acid;2-(methylamino)ethanol;2-(N-methyl-4-nitroanilino)ethanol;hydroxide (PubChem CID 159050732) has the molecular formula C149H184BBr4KN30O30 and a molecular weight of 3244.82 g/mol. Its IUPAC name is potassium;1-bromo-4-nitrobenzene;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;6,8-dibromoimidazo[1,2-a]pyrazine;ethyl 3-[2-(4-amino-N-methylanilino)ethoxy]propanoate;ethyl 3-[2-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-N-methylanilino]ethoxy]propanoate;ethyl 3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanoate;ethyl 3-[2-(N-methyl-4-nitroanilino)ethoxy]propanoate;ethyl prop-2-enoate;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanoic acid;2-(methylamino)ethanol;2-(N-methyl-4-nitroanilino)ethanol;hydroxide.

Molecular Properties

• Compound Name: potassium;1-bromo-4-nitrobenzene;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;6,8-dibromoimidazo[1,2-a]pyrazine;ethyl 3-[2-(4-amino-N-methylanilino)ethoxy]propanoate;ethyl 3-[2-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-N-methylanilino]ethoxy]propanoate;ethyl 3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanoate;ethyl 3-[2-(N-methyl-4-nitroanilino)ethoxy]propanoate;ethyl prop-2-enoate;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanoic acid;2-(methylamino)ethanol;2-(N-methyl-4-nitroanilino)ethanol;hydroxide
• PubChem CID: 159050732
• Molecular Formula: C149H184BBr4KN30O30
• Molecular Weight: 3244.82 g/mol
• Exact Mass: 3239.03
• IUPAC Name: potassium;1-bromo-4-nitrobenzene;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;6,8-dibromoimidazo[1,2-a]pyrazine;ethyl 3-[2-(4-amino-N-methylanilino)ethoxy]propanoate;ethyl 3-[2-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-N-methylanilino]ethoxy]propanoate;ethyl 3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanoate;ethyl 3-[2-(N-methyl-4-nitroanilino)ethoxy]propanoate;ethyl prop-2-enoate;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanoic acid;2-(methylamino)ethanol;2-(N-methyl-4-nitroanilino)ethanol;hydroxide
• SMILES: Brc1cn2ccnc2c(Br)n1.C=CC(=O)OCC.CC(C)(C)OC(=O)n1ncc2ccc(B3OC(C)(C)C(C)(C)O3)cc21.CCOC(=O)CCOCCN(C)c1ccc(N)cc1.CCOC(=O)CCOCCN(C)c1ccc(Nc2nc(-c3ccc4c(c3)CN=C4)cn3ccnc23)cc1.CCOC(=O)CCOCCN(C)c1ccc(Nc2nc(Br)cn3ccnc23)cc1.CCOC(=O)CCOCCN(C)c1ccc([N+](=O)[O-])cc1.CN(CCO)c1ccc([N+](=O)[O-])cc1.CN(CCOCCC(=O)O)c1ccc(Nc2nc(-c3ccc4c(c3)CN=C4)cn3ccnc23)cc1.CNCCO.O=[N+]([O-])c1ccc(Br)cc1.[K+].[OH-]
• InChI: InChI=1S/C28H30N6O3.C26H26N6O3.C20H24BrN5O3.C18H25BN2O4.C14H20N2O5.C14H22N2O3.C9H12N2O3.C6H3Br2N3.C6H4BrNO2.C5H8O2.C3H9NO.K.H2O/c1-3-37-26(35)10-14-36-15-13-33(2)24-8-6-23(7-9-24)31-27-28-30-11-12-34(28)19-25(32-27)20-4-5-21-17-29-18-22(21)16-20;1-31(11-13-35-12-8-24(33)34)22-6-4-21(5-7-22)29-25-26-28-9-10-32(26)17-23(30-25)18-2-3-19-15-27-16-20(19)14-18;1-3-29-18(27)8-12-28-13-11-25(2)16-6-4-15(5-7-16)23-19-20-22-9-10-26(20)14-17(21)24-19;1-16(2,3)23-15(22)21-14-10-13(9-8-12(14)11-20-21)19-24-17(4,5)18(6,7)25-19;1-3-21-14(17)8-10-20-11-9-15(2)12-4-6-13(7-5-12)16(18)19;1-3-19-14(17)8-10-18-11-9-16(2)13-6-4-12(15)5-7-13;1-10(6-7-12)8-2-4-9(5-3-8)11(13)14;7-4-3-11-2-1-9-6(11)5(8)10-4;7-5-1-3-6(4-2-5)8(9)10;1-3-5(6)7-4-2;1-4-2-3-5;;/h4-9,11-12,16-17,19H,3,10,13-15,18H2,1-2H3,(H,31,32);2-7,9-10,14-15,17H,8,11-13,16H2,1H3,(H,29,30)(H,33,34);4-7,9-10,14H,3,8,11-13H2,1-2H3,(H,23,24);8-11H,1-7H3;4-7H,3,8-11H2,1-2H3;4-7H,3,8-11,15H2,1-2H3;2-5,12H,6-7H2,1H3;1-3H;1-4H;3H,1,4H2,2H3;4-5H,2-3H2,1H3;;1H2/q;;;;;;;;;;;+1;/p-1
• InChIKey: JXFQWBGKIRUSLJ-UHFFFAOYSA-M
• XLogP: 21.31
• TPSA: 716.47 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 56
• Rotatable Bonds: 58
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3244.82
LogP ≤ 5	21.31
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	56

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;1-bromo-4-nitrobenzene;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;6,8-dibromoimidazo[1,2-a]pyrazine;ethyl 3-[2-(4-amino-N-methylanilino)ethoxy]propanoate;ethyl 3-[2-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-N-methylanilino]ethoxy]propanoate;ethyl 3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanoate;ethyl 3-[2-(N-methyl-4-nitroanilino)ethoxy]propanoate;ethyl prop-2-enoate;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanoic acid;2-(methylamino)ethanol;2-(N-methyl-4-nitroanilino)ethanol;hydroxide?

The IUPAC name of potassium;1-bromo-4-nitrobenzene;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;6,8-dibromoimidazo[1,2-a]pyrazine;ethyl 3-[2-(4-amino-N-methylanilino)ethoxy]propanoate;ethyl 3-[2-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-N-methylanilino]ethoxy]propanoate;ethyl 3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanoate;ethyl 3-[2-(N-methyl-4-nitroanilino)ethoxy]propanoate;ethyl prop-2-enoate;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanoic acid;2-(methylamino)ethanol;2-(N-methyl-4-nitroanilino)ethanol;hydroxide (CID 159050732) is potassium;1-bromo-4-nitrobenzene;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;6,8-dibromoimidazo[1,2-a]pyrazine;ethyl 3-[2-(4-amino-N-methylanilino)ethoxy]propanoate;ethyl 3-[2-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-N-methylanilino]ethoxy]propanoate;ethyl 3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanoate;ethyl 3-[2-(N-methyl-4-nitroanilino)ethoxy]propanoate;ethyl prop-2-enoate;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanoic acid;2-(methylamino)ethanol;2-(N-methyl-4-nitroanilino)ethanol;hydroxide.

What is the SMILES notation for potassium;1-bromo-4-nitrobenzene;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;6,8-dibromoimidazo[1,2-a]pyrazine;ethyl 3-[2-(4-amino-N-methylanilino)ethoxy]propanoate;ethyl 3-[2-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-N-methylanilino]ethoxy]propanoate;ethyl 3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanoate;ethyl 3-[2-(N-methyl-4-nitroanilino)ethoxy]propanoate;ethyl prop-2-enoate;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanoic acid;2-(methylamino)ethanol;2-(N-methyl-4-nitroanilino)ethanol;hydroxide?

The canonical SMILES for potassium;1-bromo-4-nitrobenzene;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;6,8-dibromoimidazo[1,2-a]pyrazine;ethyl 3-[2-(4-amino-N-methylanilino)ethoxy]propanoate;ethyl 3-[2-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-N-methylanilino]ethoxy]propanoate;ethyl 3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanoate;ethyl 3-[2-(N-methyl-4-nitroanilino)ethoxy]propanoate;ethyl prop-2-enoate;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanoic acid;2-(methylamino)ethanol;2-(N-methyl-4-nitroanilino)ethanol;hydroxide is Brc1cn2ccnc2c(Br)n1.C=CC(=O)OCC.CC(C)(C)OC(=O)n1ncc2ccc(B3OC(C)(C)C(C)(C)O3)cc21.CCOC(=O)CCOCCN(C)c1ccc(N)cc1.CCOC(=O)CCOCCN(C)c1ccc(Nc2nc(-c3ccc4c(c3)CN=C4)cn3ccnc23)cc1.CCOC(=O)CCOCCN(C)c1ccc(Nc2nc(Br)cn3ccnc23)cc1.CCOC(=O)CCOCCN(C)c1ccc([N+](=O)[O-])cc1.CN(CCO)c1ccc([N+](=O)[O-])cc1.CN(CCOCCC(=O)O)c1ccc(Nc2nc(-c3ccc4c(c3)CN=C4)cn3ccnc23)cc1.CNCCO.O=[N+]([O-])c1ccc(Br)cc1.[K+].[OH-].

What is the InChIKey of potassium;1-bromo-4-nitrobenzene;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;6,8-dibromoimidazo[1,2-a]pyrazine;ethyl 3-[2-(4-amino-N-methylanilino)ethoxy]propanoate;ethyl 3-[2-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-N-methylanilino]ethoxy]propanoate;ethyl 3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanoate;ethyl 3-[2-(N-methyl-4-nitroanilino)ethoxy]propanoate;ethyl prop-2-enoate;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanoic acid;2-(methylamino)ethanol;2-(N-methyl-4-nitroanilino)ethanol;hydroxide?

The InChIKey is JXFQWBGKIRUSLJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H30N6O3.C26H26N6O3.C20H24BrN5O3.C18H25BN2O4.C14H20N2O5.C14H22N2O3.C9H12N2O3.C6H3Br2N3.C6H4BrNO2.C5H8O2.C3H9NO.K.H2O/c1-3-37-26(35)10-14-36-15-13-33(2)24-8-6-23(7-9-24)31-27-28-30-11-12-34(28)19-25(32-27)20-4-5-21-17-29-18-22(21)16-20;1-31(11-13-35-12-8-24(33)34)22-6-4-21(5-7-22)29-25-26-28-9-10-32(26)17-23(30-25)18-2-3-19-15-27-16-20(19)14-18;1-3-29-18(27)8-12-28-13-11-25(2)16-6-4-15(5-7-16)23-19-20-22-9-10-26(20)14-17(21)24-19;1-16(2,3)23-15(22)21-14-10-13(9-8-12(14)11-20-21)19-24-17(4,5)18(6,7)25-19;1-3-21-14(17)8-10-20-11-9-15(2)12-4-6-13(7-5-12)16(18)19;1-3-19-14(17)8-10-18-11-9-16(2)13-6-4-12(15)5-7-13;1-10(6-7-12)8-2-4-9(5-3-8)11(13)14;7-4-3-11-2-1-9-6(11)5(8)10-4;7-5-1-3-6(4-2-5)8(9)10;1-3-5(6)7-4-2;1-4-2-3-5;;/h4-9,11-12,16-17,19H,3,10,13-15,18H2,1-2H3,(H,31,32);2-7,9-10,14-15,17H,8,11-13,16H2,1H3,(H,29,30)(H,33,34);4-7,9-10,14H,3,8,11-13H2,1-2H3,(H,23,24);8-11H,1-7H3;4-7H,3,8-11H2,1-2H3;4-7H,3,8-11,15H2,1-2H3;2-5,12H,6-7H2,1H3;1-3H;1-4H;3H,1,4H2,2H3;4-5H,2-3H2,1H3;;1H2/q;;;;;;;;;;;+1;/p-1.

What are the key properties of potassium;1-bromo-4-nitrobenzene;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;6,8-dibromoimidazo[1,2-a]pyrazine;ethyl 3-[2-(4-amino-N-methylanilino)ethoxy]propanoate;ethyl 3-[2-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-N-methylanilino]ethoxy]propanoate;ethyl 3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanoate;ethyl 3-[2-(N-methyl-4-nitroanilino)ethoxy]propanoate;ethyl prop-2-enoate;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanoic acid;2-(methylamino)ethanol;2-(N-methyl-4-nitroanilino)ethanol;hydroxide?

potassium;1-bromo-4-nitrobenzene;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;6,8-dibromoimidazo[1,2-a]pyrazine;ethyl 3-[2-(4-amino-N-methylanilino)ethoxy]propanoate;ethyl 3-[2-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-N-methylanilino]ethoxy]propanoate;ethyl 3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanoate;ethyl 3-[2-(N-methyl-4-nitroanilino)ethoxy]propanoate;ethyl prop-2-enoate;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanoic acid;2-(methylamino)ethanol;2-(N-methyl-4-nitroanilino)ethanol;hydroxide has a molecular weight of 3244.82 g/mol, XLogP of 21.31, 58 rotatable bonds, 8 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;1-bromo-4-nitrobenzene;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;6,8-dibromoimidazo[1,2-a]pyrazine;ethyl 3-[2-(4-amino-N-methylanilino)ethoxy]propanoate;ethyl 3-[2-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-N-methylanilino]ethoxy]propanoate;ethyl 3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanoate;ethyl 3-[2-(N-methyl-4-nitroanilino)ethoxy]propanoate;ethyl prop-2-enoate;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanoic acid;2-(methylamino)ethanol;2-(N-methyl-4-nitroanilino)ethanol;hydroxide is sourced from PubChem (CID 159050732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).