lithium;dimagnesium;potassium;3-butan-2-yl-1-[3-(2,3,4,5,6-pentafluorophenyl)benzene-6-id-1-yl]imidazo[1,5-a]pyridine;chlorozinc(1+);1-(2,4-difluorobenzene-6-id-1-yl)-3-(2,2-dimethylpropyl)-4-methyl-1,2,4-triazol-4-ium;3-(2,4-dimethylbenzene-6-id-1-yl)-5-(2,2-dimethylpropyl)-1,2,4-oxadiazole;5-methyl-1-phenyl-1,2,4-triazole;5-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]-1H-1,2,4-triazole;dichloride

C71H67Cl3F10KLiMg2N13OZn+ — CID 158497577

IUPAClithium;dimagnesium;potassium;3-butan-2-yl-1-[3-(2,3,4,5,6-pentafluorophenyl)benzene-6-id-1-yl]imidazo[1,5-a]pyridine;chlorozinc(1+);1-(2,4-difluorobenzene-6-id-1-yl)-3-(2,2-dimethylpropyl)-4-methyl-1,2,4-triazol-4-ium;3-(2,4-dimethylbenzene-6-id-1-yl)-5-(2,2-dimethylpropyl)-1,2,4-oxadiazole;5-methyl-1-phenyl-1,2,4-triazole;5-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]-1H-1,2,4-triazole;dichloride
SMILESCCC(C)c1nc(-c2[c-]ccc(-c3c(F)c(F)c(F)c(F)c3F)c2)c2ccccn12.C[n+]1cn(-c2[c-]cc(F)cc2F)nc1CC(C)(C)C.Cc1c[c-]c(-c2noc(CC(C)(C)C)n2)c(C)c1.Cc1nc(-c2[c-]cc(C(F)(F)F)cc2)n[nH]1.Cc1ncnn1-c1[c-]cccc1.Cl[Zn+].[Cl-].[Cl-].[K+].[Li+].[Mg+2].[Mg+2]
InChIInChI=1S/C23H16F5N2.C15H19N2O.C14H17F2N3.C10H7F3N3.C9H8N3.3ClH.K.Li.2Mg.Zn/c1-3-12(2)23-29-22(15-9-4-5-10-30(15)23)14-8-6-7-13(11-14)16-17(24)19(26)21(28)20(27)18(16)25;1-10-6-7-12(11(2)8-10)14-16-13(18-17-14)9-15(3,4)5;1-14(2,3)8-13-17-19(9-18(13)4)12-6-5-10(15)7-11(12)16;1-6-14-9(16-15-6)7-2-4-8(5-3-7)10(11,12)13;1-8-10-7-11-12(8)9-5-3-2-4-6-9;;;;;;;;/h4-7,9-12H,3H2,1-2H3;6,8H,9H2,1-5H3;5,7,9H,8H2,1-4H3;2,4-5H,1H3,(H,14,15,16);2-5,7H,1H3;3*1H;;;;;/q2*-1;;2*-1;;;;2*+1;3*+2/p-3
InChIKeyFEUKMDSMRACHHO-UHFFFAOYSA-K
MW1574.78 g/mol
LogP4.70
Rot. Bonds10

About lithium;dimagnesium;potassium;3-butan-2-yl-1-[3-(2,3,4,5,6-pentafluorophenyl)benzene-6-id-1-yl]imidazo[1,5-a]pyridine;chlorozinc(1+);1-(2,4-difluorobenzene-6-id-1-yl)-3-(2,2-dimethylpropyl)-4-methyl-1,2,4-triazol-4-ium;3-(2,4-dimethylbenzene-6-id-1-yl)-5-(2,2-dimethylpropyl)-1,2,4-oxadiazole;5-methyl-1-phenyl-1,2,4-triazole;5-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]-1H-1,2,4-triazole;dichloride

lithium;dimagnesium;potassium;3-butan-2-yl-1-[3-(2,3,4,5,6-pentafluorophenyl)benzene-6-id-1-yl]imidazo[1,5-a]pyridine;chlorozinc(1+);1-(2,4-difluorobenzene-6-id-1-yl)-3-(2,2-dimethylpropyl)-4-methyl-1,2,4-triazol-4-ium;3-(2,4-dimethylbenzene-6-id-1-yl)-5-(2,2-dimethylpropyl)-1,2,4-oxadiazole;5-methyl-1-phenyl-1,2,4-triazole;5-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]-1H-1,2,4-triazole;dichloride (PubChem CID 158497577) has the molecular formula C71H67Cl3F10KLiMg2N13OZn+ and a molecular weight of 1574.78 g/mol. Its IUPAC name is lithium;dimagnesium;potassium;3-butan-2-yl-1-[3-(2,3,4,5,6-pentafluorophenyl)benzene-6-id-1-yl]imidazo[1,5-a]pyridine;chlorozinc(1+);1-(2,4-difluorobenzene-6-id-1-yl)-3-(2,2-dimethylpropyl)-4-methyl-1,2,4-triazol-4-ium;3-(2,4-dimethylbenzene-6-id-1-yl)-5-(2,2-dimethylpropyl)-1,2,4-oxadiazole;5-methyl-1-phenyl-1,2,4-triazole;5-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]-1H-1,2,4-triazole;dichloride.

Molecular Properties

Compound Namelithium;dimagnesium;potassium;3-butan-2-yl-1-[3-(2,3,4,5,6-pentafluorophenyl)benzene-6-id-1-yl]imidazo[1,5-a]pyridine;chlorozinc(1+);1-(2,4-difluorobenzene-6-id-1-yl)-3-(2,2-dimethylpropyl)-4-methyl-1,2,4-triazol-4-ium;3-(2,4-dimethylbenzene-6-id-1-yl)-5-(2,2-dimethylpropyl)-1,2,4-oxadiazole;5-methyl-1-phenyl-1,2,4-triazole;5-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]-1H-1,2,4-triazole;dichloride
PubChem CID158497577
Molecular FormulaC71H67Cl3F10KLiMg2N13OZn+
Molecular Weight1574.78 g/mol
Exact Mass1570.33
IUPAC Namelithium;dimagnesium;potassium;3-butan-2-yl-1-[3-(2,3,4,5,6-pentafluorophenyl)benzene-6-id-1-yl]imidazo[1,5-a]pyridine;chlorozinc(1+);1-(2,4-difluorobenzene-6-id-1-yl)-3-(2,2-dimethylpropyl)-4-methyl-1,2,4-triazol-4-ium;3-(2,4-dimethylbenzene-6-id-1-yl)-5-(2,2-dimethylpropyl)-1,2,4-oxadiazole;5-methyl-1-phenyl-1,2,4-triazole;5-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]-1H-1,2,4-triazole;dichloride
SMILESCCC(C)c1nc(-c2[c-]ccc(-c3c(F)c(F)c(F)c(F)c3F)c2)c2ccccn12.C[n+]1cn(-c2[c-]cc(F)cc2F)nc1CC(C)(C)C.Cc1c[c-]c(-c2noc(CC(C)(C)C)n2)c(C)c1.Cc1nc(-c2[c-]cc(C(F)(F)F)cc2)n[nH]1.Cc1ncnn1-c1[c-]cccc1.Cl[Zn+].[Cl-].[Cl-].[K+].[Li+].[Mg+2].[Mg+2]
InChIInChI=1S/C23H16F5N2.C15H19N2O.C14H17F2N3.C10H7F3N3.C9H8N3.3ClH.K.Li.2Mg.Zn/c1-3-12(2)23-29-22(15-9-4-5-10-30(15)23)14-8-6-7-13(11-14)16-17(24)19(26)21(28)20(27)18(16)25;1-10-6-7-12(11(2)8-10)14-16-13(18-17-14)9-15(3,4)5;1-14(2,3)8-13-17-19(9-18(13)4)12-6-5-10(15)7-11(12)16;1-6-14-9(16-15-6)7-2-4-8(5-3-7)10(11,12)13;1-8-10-7-11-12(8)9-5-3-2-4-6-9;;;;;;;;/h4-7,9-12H,3H2,1-2H3;6,8H,9H2,1-5H3;5,7,9H,8H2,1-4H3;2,4-5H,1H3,(H,14,15,16);2-5,7H,1H3;3*1H;;;;;/q2*-1;;2*-1;;;;2*+1;3*+2/p-3
InChIKeyFEUKMDSMRACHHO-UHFFFAOYSA-K
XLogP4.70
TPSA150.20 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001574.78
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze lithium;dimagnesium;potassium;3-butan-2-yl-1-[3-(2,3,4,5,6-pentafluorophenyl)benzene-6-id-1-yl]imidazo[1,5-a]pyridine;chlorozinc(1+);1-(2,4-difluorobenzene-6-id-1-yl)-3-(2,2-dimethylpropyl)-4-methyl-1,2,4-triazol-4-ium;3-(2,4-dimethylbenzene-6-id-1-yl)-5-(2,2-dimethylpropyl)-1,2,4-oxadiazole;5-methyl-1-phenyl-1,2,4-triazole;5-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]-1H-1,2,4-triazole;dichloride with MolForge

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Related Compounds

3-butan-2-yl-1-[3-(2,3,4,5,6-pentafluorophenyl)benzene-6-id-1-yl]imidazo[1,5-a]pyridine;3-(2,4-dimethylbenzene-6-id-1-yl)-5-(2,2-dimethylpropyl)-1,2,4-oxadiazole;3-(3,3-dimethylbutan-2-yl)-5-[4-(trifluoromethyl)benzene-6-id-1-yl]-4H-1,2,4-triazole;bis(iridium);nickel;palladium;2-(5-pentan-2-yl-1,2,4-oxadiazol-3-yl)propan-2-yl-phenylphosphane
CID 159669991
5-chloro-1-methylpyridin-2-one;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;N,N-dimethyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyridin-2-one;2-ethyl-1-methylimidazole;1-methylbenzimidazole;3-methylimidazo[4,5-b]pyridine;1-methylimidazole;2-methyl-1H-imidazole;2-(1-methylimidazol-4-yl)ethanamine;1-methyl-4-phenylimidazole;1-methylpyrazole;1-methyltetrazole;5-methyl-2H-tetrazole;1-methyl-5-(trifluoromethyl)pyridin-2-one;1-methyl-5-(trifluoromethyl)tetrazole;1,2,4-trimethylimidazole;1,3,5-trimethylpyrazole
CID 161344375
3-butan-2-yl-1-[3-(2,3,4,5,6-pentafluorophenyl)benzene-6-id-1-yl]imidazo[1,5-a]pyridine;3-(3,3-dimethylbutan-2-yl)-5-[4-(trifluoromethyl)benzene-6-id-1-yl]-4H-1,2,4-triazole;bis(iridium);palladium;2-(5-pentan-2-yl-1,2,4-oxadiazol-3-yl)propan-2-yl-phenylphosphane
CID 161926724

Frequently Asked Questions

What is the IUPAC name of lithium;dimagnesium;potassium;3-butan-2-yl-1-[3-(2,3,4,5,6-pentafluorophenyl)benzene-6-id-1-yl]imidazo[1,5-a]pyridine;chlorozinc(1+);1-(2,4-difluorobenzene-6-id-1-yl)-3-(2,2-dimethylpropyl)-4-methyl-1,2,4-triazol-4-ium;3-(2,4-dimethylbenzene-6-id-1-yl)-5-(2,2-dimethylpropyl)-1,2,4-oxadiazole;5-methyl-1-phenyl-1,2,4-triazole;5-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]-1H-1,2,4-triazole;dichloride?
The IUPAC name of lithium;dimagnesium;potassium;3-butan-2-yl-1-[3-(2,3,4,5,6-pentafluorophenyl)benzene-6-id-1-yl]imidazo[1,5-a]pyridine;chlorozinc(1+);1-(2,4-difluorobenzene-6-id-1-yl)-3-(2,2-dimethylpropyl)-4-methyl-1,2,4-triazol-4-ium;3-(2,4-dimethylbenzene-6-id-1-yl)-5-(2,2-dimethylpropyl)-1,2,4-oxadiazole;5-methyl-1-phenyl-1,2,4-triazole;5-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]-1H-1,2,4-triazole;dichloride (CID 158497577) is lithium;dimagnesium;potassium;3-butan-2-yl-1-[3-(2,3,4,5,6-pentafluorophenyl)benzene-6-id-1-yl]imidazo[1,5-a]pyridine;chlorozinc(1+);1-(2,4-difluorobenzene-6-id-1-yl)-3-(2,2-dimethylpropyl)-4-methyl-1,2,4-triazol-4-ium;3-(2,4-dimethylbenzene-6-id-1-yl)-5-(2,2-dimethylpropyl)-1,2,4-oxadiazole;5-methyl-1-phenyl-1,2,4-triazole;5-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]-1H-1,2,4-triazole;dichloride.
What is the SMILES notation for lithium;dimagnesium;potassium;3-butan-2-yl-1-[3-(2,3,4,5,6-pentafluorophenyl)benzene-6-id-1-yl]imidazo[1,5-a]pyridine;chlorozinc(1+);1-(2,4-difluorobenzene-6-id-1-yl)-3-(2,2-dimethylpropyl)-4-methyl-1,2,4-triazol-4-ium;3-(2,4-dimethylbenzene-6-id-1-yl)-5-(2,2-dimethylpropyl)-1,2,4-oxadiazole;5-methyl-1-phenyl-1,2,4-triazole;5-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]-1H-1,2,4-triazole;dichloride?
The canonical SMILES for lithium;dimagnesium;potassium;3-butan-2-yl-1-[3-(2,3,4,5,6-pentafluorophenyl)benzene-6-id-1-yl]imidazo[1,5-a]pyridine;chlorozinc(1+);1-(2,4-difluorobenzene-6-id-1-yl)-3-(2,2-dimethylpropyl)-4-methyl-1,2,4-triazol-4-ium;3-(2,4-dimethylbenzene-6-id-1-yl)-5-(2,2-dimethylpropyl)-1,2,4-oxadiazole;5-methyl-1-phenyl-1,2,4-triazole;5-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]-1H-1,2,4-triazole;dichloride is CCC(C)c1nc(-c2[c-]ccc(-c3c(F)c(F)c(F)c(F)c3F)c2)c2ccccn12.C[n+]1cn(-c2[c-]cc(F)cc2F)nc1CC(C)(C)C.Cc1c[c-]c(-c2noc(CC(C)(C)C)n2)c(C)c1.Cc1nc(-c2[c-]cc(C(F)(F)F)cc2)n[nH]1.Cc1ncnn1-c1[c-]cccc1.Cl[Zn+].[Cl-].[Cl-].[K+].[Li+].[Mg+2].[Mg+2].
What is the InChIKey of lithium;dimagnesium;potassium;3-butan-2-yl-1-[3-(2,3,4,5,6-pentafluorophenyl)benzene-6-id-1-yl]imidazo[1,5-a]pyridine;chlorozinc(1+);1-(2,4-difluorobenzene-6-id-1-yl)-3-(2,2-dimethylpropyl)-4-methyl-1,2,4-triazol-4-ium;3-(2,4-dimethylbenzene-6-id-1-yl)-5-(2,2-dimethylpropyl)-1,2,4-oxadiazole;5-methyl-1-phenyl-1,2,4-triazole;5-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]-1H-1,2,4-triazole;dichloride?
The InChIKey is FEUKMDSMRACHHO-UHFFFAOYSA-K. The full InChI is InChI=1S/C23H16F5N2.C15H19N2O.C14H17F2N3.C10H7F3N3.C9H8N3.3ClH.K.Li.2Mg.Zn/c1-3-12(2)23-29-22(15-9-4-5-10-30(15)23)14-8-6-7-13(11-14)16-17(24)19(26)21(28)20(27)18(16)25;1-10-6-7-12(11(2)8-10)14-16-13(18-17-14)9-15(3,4)5;1-14(2,3)8-13-17-19(9-18(13)4)12-6-5-10(15)7-11(12)16;1-6-14-9(16-15-6)7-2-4-8(5-3-7)10(11,12)13;1-8-10-7-11-12(8)9-5-3-2-4-6-9;;;;;;;;/h4-7,9-12H,3H2,1-2H3;6,8H,9H2,1-5H3;5,7,9H,8H2,1-4H3;2,4-5H,1H3,(H,14,15,16);2-5,7H,1H3;3*1H;;;;;/q2*-1;;2*-1;;;;2*+1;3*+2/p-3.
What are the key properties of lithium;dimagnesium;potassium;3-butan-2-yl-1-[3-(2,3,4,5,6-pentafluorophenyl)benzene-6-id-1-yl]imidazo[1,5-a]pyridine;chlorozinc(1+);1-(2,4-difluorobenzene-6-id-1-yl)-3-(2,2-dimethylpropyl)-4-methyl-1,2,4-triazol-4-ium;3-(2,4-dimethylbenzene-6-id-1-yl)-5-(2,2-dimethylpropyl)-1,2,4-oxadiazole;5-methyl-1-phenyl-1,2,4-triazole;5-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]-1H-1,2,4-triazole;dichloride?
lithium;dimagnesium;potassium;3-butan-2-yl-1-[3-(2,3,4,5,6-pentafluorophenyl)benzene-6-id-1-yl]imidazo[1,5-a]pyridine;chlorozinc(1+);1-(2,4-difluorobenzene-6-id-1-yl)-3-(2,2-dimethylpropyl)-4-methyl-1,2,4-triazol-4-ium;3-(2,4-dimethylbenzene-6-id-1-yl)-5-(2,2-dimethylpropyl)-1,2,4-oxadiazole;5-methyl-1-phenyl-1,2,4-triazole;5-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]-1H-1,2,4-triazole;dichloride has a molecular weight of 1574.78 g/mol, XLogP of 4.70, 10 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;dimagnesium;potassium;3-butan-2-yl-1-[3-(2,3,4,5,6-pentafluorophenyl)benzene-6-id-1-yl]imidazo[1,5-a]pyridine;chlorozinc(1+);1-(2,4-difluorobenzene-6-id-1-yl)-3-(2,2-dimethylpropyl)-4-methyl-1,2,4-triazol-4-ium;3-(2,4-dimethylbenzene-6-id-1-yl)-5-(2,2-dimethylpropyl)-1,2,4-oxadiazole;5-methyl-1-phenyl-1,2,4-triazole;5-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]-1H-1,2,4-triazole;dichloride is sourced from PubChem (CID 158497577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).