lithium;N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide;benzoic acid;tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)-8-ethylquinazolin-2-yl]-N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]-N-[8-ethyl-6-[3-[[2-[2-methoxy-5-(trifluoromethyl)phenyl]acetyl]amino]-1-methylpyrazol-5-yl]quinazolin-2-yl]carbamate;2-diazo-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanone;2-methoxy-5-(trifluoromethyl)benzoic acid;2-[2-methoxy-5-(trifluoromethyl)phenyl]acetic acid;methyl 2-[2-methoxy-5-(trifluoromethyl)phenyl]acetate;silver;hydroxide

C157H184AgF18LiN23O30 — CID 158532285

IUPAClithium;N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide;benzoic acid;tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)-8-ethylquinazolin-2-yl]-N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]-N-[8-ethyl-6-[3-[[2-[2-methoxy-5-(trifluoromethyl)phenyl]acetyl]amino]-1-methylpyrazol-5-yl]quinazolin-2-yl]carbamate;2-diazo-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanone;2-methoxy-5-(trifluoromethyl)benzoic acid;2-[2-methoxy-5-(trifluoromethyl)phenyl]acetic acid;methyl 2-[2-methoxy-5-(trifluoromethyl)phenyl]acetate;silver;hydroxide
SMILESCCc1cc(-c2cc(N)nn2C)cc2cnc(N(C(=O)OC(C)(C)C)C3CCC(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CC3)nc12.CCc1cc(-c2cc(NC(=O)Cc3cc(C(F)(F)F)ccc3OC)nn2C)cc2cnc(N(C(=O)OC(C)(C)C)C3CCC(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CC3)nc12.CCc1cc(-c2cc(NC(=O)Cc3cc(C(F)(F)F)ccc3OC)nn2C)cc2cnc(NC3CCC(N)CC3)nc12.COC(=O)Cc1cc(C(F)(F)F)ccc1OC.COc1ccc(C(F)(F)F)cc1C(=O)C=[N+]=[N-].COc1ccc(C(F)(F)F)cc1C(=O)O.COc1ccc(C(F)(F)F)cc1CC(=O)O.O=C(O)c1ccccc1.[Ag].[Li+].[OH-]
InChIInChI=1S/C45H58F3N7O8.C35H51N7O6.C30H34F3N7O2.C11H11F3O3.C10H7F3N2O2.C10H9F3O3.C9H7F3O3.C7H6O2.Ag.Li.H2O/c1-13-26-20-27(33-24-35(52-53(33)11)50-36(56)23-28-22-30(45(46,47)48)14-19-34(28)60-12)21-29-25-49-38(51-37(26)29)54(39(57)61-42(2,3)4)31-15-17-32(18-16-31)55(40(58)62-43(5,6)7)41(59)63-44(8,9)10;1-12-21-17-22(26-19-27(36)39-40(26)11)18-23-20-37-29(38-28(21)23)41(30(43)46-33(2,3)4)24-13-15-25(16-14-24)42(31(44)47-34(5,6)7)32(45)48-35(8,9)10;1-4-17-11-18(12-20-16-35-29(38-28(17)20)36-23-8-6-22(34)7-9-23)24-15-26(39-40(24)2)37-27(41)14-19-13-21(30(31,32)33)5-10-25(19)42-3;1-16-9-4-3-8(11(12,13)14)5-7(9)6-10(15)17-2;1-17-9-3-2-6(10(11,12)13)4-7(9)8(16)5-15-14;1-16-8-3-2-7(10(11,12)13)4-6(8)5-9(14)15;1-15-7-3-2-5(9(10,11)12)4-6(7)8(13)14;8-7(9)6-4-2-1-3-5-6;;;/h14,19-22,24-25,31-32H,13,15-18,23H2,1-12H3,(H,50,52,56);17-20,24-25H,12-16H2,1-11H3,(H2,36,39);5,10-13,15-16,22-23H,4,6-9,14,34H2,1-3H3,(H,35,36,38)(H,37,39,41);3-5H,6H2,1-2H3;2-5H,1H3;2-4H,5H2,1H3,(H,14,15);2-4H,1H3,(H,13,14);1-5H,(H,8,9);;;1H2/q;;;;;;;;;+1;/p-1
InChIKeyFLOZGMZSQJYFJQ-UHFFFAOYSA-M
MW3330.10 g/mol
LogP30.50
Rot. Bonds34

About lithium;N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide;benzoic acid;tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)-8-ethylquinazolin-2-yl]-N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]-N-[8-ethyl-6-[3-[[2-[2-methoxy-5-(trifluoromethyl)phenyl]acetyl]amino]-1-methylpyrazol-5-yl]quinazolin-2-yl]carbamate;2-diazo-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanone;2-methoxy-5-(trifluoromethyl)benzoic acid;2-[2-methoxy-5-(trifluoromethyl)phenyl]acetic acid;methyl 2-[2-methoxy-5-(trifluoromethyl)phenyl]acetate;silver;hydroxide

lithium;N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide;benzoic acid;tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)-8-ethylquinazolin-2-yl]-N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]-N-[8-ethyl-6-[3-[[2-[2-methoxy-5-(trifluoromethyl)phenyl]acetyl]amino]-1-methylpyrazol-5-yl]quinazolin-2-yl]carbamate;2-diazo-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanone;2-methoxy-5-(trifluoromethyl)benzoic acid;2-[2-methoxy-5-(trifluoromethyl)phenyl]acetic acid;methyl 2-[2-methoxy-5-(trifluoromethyl)phenyl]acetate;silver;hydroxide (PubChem CID 158532285) has the molecular formula C157H184AgF18LiN23O30 and a molecular weight of 3330.10 g/mol. Its IUPAC name is lithium;N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide;benzoic acid;tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)-8-ethylquinazolin-2-yl]-N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]-N-[8-ethyl-6-[3-[[2-[2-methoxy-5-(trifluoromethyl)phenyl]acetyl]amino]-1-methylpyrazol-5-yl]quinazolin-2-yl]carbamate;2-diazo-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanone;2-methoxy-5-(trifluoromethyl)benzoic acid;2-[2-methoxy-5-(trifluoromethyl)phenyl]acetic acid;methyl 2-[2-methoxy-5-(trifluoromethyl)phenyl]acetate;silver;hydroxide.

Molecular Properties

Compound Namelithium;N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide;benzoic acid;tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)-8-ethylquinazolin-2-yl]-N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]-N-[8-ethyl-6-[3-[[2-[2-methoxy-5-(trifluoromethyl)phenyl]acetyl]amino]-1-methylpyrazol-5-yl]quinazolin-2-yl]carbamate;2-diazo-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanone;2-methoxy-5-(trifluoromethyl)benzoic acid;2-[2-methoxy-5-(trifluoromethyl)phenyl]acetic acid;methyl 2-[2-methoxy-5-(trifluoromethyl)phenyl]acetate;silver;hydroxide
PubChem CID158532285
Molecular FormulaC157H184AgF18LiN23O30
Molecular Weight3330.10 g/mol
Exact Mass3327.25
IUPAC Namelithium;N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide;benzoic acid;tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)-8-ethylquinazolin-2-yl]-N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]-N-[8-ethyl-6-[3-[[2-[2-methoxy-5-(trifluoromethyl)phenyl]acetyl]amino]-1-methylpyrazol-5-yl]quinazolin-2-yl]carbamate;2-diazo-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanone;2-methoxy-5-(trifluoromethyl)benzoic acid;2-[2-methoxy-5-(trifluoromethyl)phenyl]acetic acid;methyl 2-[2-methoxy-5-(trifluoromethyl)phenyl]acetate;silver;hydroxide
SMILESCCc1cc(-c2cc(N)nn2C)cc2cnc(N(C(=O)OC(C)(C)C)C3CCC(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CC3)nc12.CCc1cc(-c2cc(NC(=O)Cc3cc(C(F)(F)F)ccc3OC)nn2C)cc2cnc(N(C(=O)OC(C)(C)C)C3CCC(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CC3)nc12.CCc1cc(-c2cc(NC(=O)Cc3cc(C(F)(F)F)ccc3OC)nn2C)cc2cnc(NC3CCC(N)CC3)nc12.COC(=O)Cc1cc(C(F)(F)F)ccc1OC.COc1ccc(C(F)(F)F)cc1C(=O)C=[N+]=[N-].COc1ccc(C(F)(F)F)cc1C(=O)O.COc1ccc(C(F)(F)F)cc1CC(=O)O.O=C(O)c1ccccc1.[Ag].[Li+].[OH-]
InChIInChI=1S/C45H58F3N7O8.C35H51N7O6.C30H34F3N7O2.C11H11F3O3.C10H7F3N2O2.C10H9F3O3.C9H7F3O3.C7H6O2.Ag.Li.H2O/c1-13-26-20-27(33-24-35(52-53(33)11)50-36(56)23-28-22-30(45(46,47)48)14-19-34(28)60-12)21-29-25-49-38(51-37(26)29)54(39(57)61-42(2,3)4)31-15-17-32(18-16-31)55(40(58)62-43(5,6)7)41(59)63-44(8,9)10;1-12-21-17-22(26-19-27(36)39-40(26)11)18-23-20-37-29(38-28(21)23)41(30(43)46-33(2,3)4)24-13-15-25(16-14-24)42(31(44)47-34(5,6)7)32(45)48-35(8,9)10;1-4-17-11-18(12-20-16-35-29(38-28(17)20)36-23-8-6-22(34)7-9-23)24-15-26(39-40(24)2)37-27(41)14-19-13-21(30(31,32)33)5-10-25(19)42-3;1-16-9-4-3-8(11(12,13)14)5-7(9)6-10(15)17-2;1-17-9-3-2-6(10(11,12)13)4-7(9)8(16)5-15-14;1-16-8-3-2-7(10(11,12)13)4-6(8)5-9(14)15;1-15-7-3-2-5(9(10,11)12)4-6(7)8(13)14;8-7(9)6-4-2-1-3-5-6;;;/h14,19-22,24-25,31-32H,13,15-18,23H2,1-12H3,(H,50,52,56);17-20,24-25H,12-16H2,1-11H3,(H2,36,39);5,10-13,15-16,22-23H,4,6-9,14,34H2,1-3H3,(H,35,36,38)(H,37,39,41);3-5H,6H2,1-2H3;2-5H,1H3;2-4H,5H2,1H3,(H,14,15);2-4H,1H3,(H,13,14);1-5H,(H,8,9);;;1H2/q;;;;;;;;;+1;/p-1
InChIKeyFLOZGMZSQJYFJQ-UHFFFAOYSA-M
XLogP30.50
TPSA700.88 Ų
H-Bond Donors8
H-Bond Acceptors42
Rotatable Bonds34
Heavy Atoms230
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003330.10
LogP ≤ 530.50
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze lithium;N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide;benzoic acid;tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)-8-ethylquinazolin-2-yl]-N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]-N-[8-ethyl-6-[3-[[2-[2-methoxy-5-(trifluoromethyl)phenyl]acetyl]amino]-1-methylpyrazol-5-yl]quinazolin-2-yl]carbamate;2-diazo-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanone;2-methoxy-5-(trifluoromethyl)benzoic acid;2-[2-methoxy-5-(trifluoromethyl)phenyl]acetic acid;methyl 2-[2-methoxy-5-(trifluoromethyl)phenyl]acetate;silver;hydroxide with MolForge

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Related Compounds

[4-[Bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]-[8-ethyl-6-[1-methyl-3-[[2-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]acetyl]amino]pyrazol-5-yl]quinazolin-2-yl]carbamic acid
CID 137351942
[4-[Bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]-[8-ethyl-6-[3-[[2-[2-methoxy-5-(trifluoromethyl)phenyl]acetyl]amino]-1-methylpyrazol-5-yl]quinazolin-2-yl]carbamic acid
CID 137352452
tert-butyl N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]-N-[8-ethyl-6-[3-[[2-[2-methoxy-5-(trifluoromethyl)phenyl]acetyl]amino]-1-methylpyrazol-5-yl]quinazolin-2-yl]carbamate
CID 145746186
tert-butyl N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]-N-[8-ethyl-6-[1-methyl-3-[[2-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]acetyl]amino]pyrazol-5-yl]quinazolin-2-yl]carbamate
CID 145746209
CID 158209096
CID 158209096
CID 158695678
CID 158695678
lithium;N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[4-pentoxy-3-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)-8-ethylquinazolin-2-yl]-N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]-N-[8-ethyl-6-[1-methyl-3-[[2-[4-pentoxy-3-(trifluoromethyl)phenyl]acetyl]amino]pyrazol-5-yl]quinazolin-2-yl]carbamate;methyl 2-[4-hydroxy-3-(trifluoromethyl)phenyl]acetate;methyl 2-[4-pentoxy-3-(trifluoromethyl)phenyl]acetate;pentan-1-ol;2-[4-pentoxy-3-(trifluoromethyl)phenyl]acetic acid;hydroxide;hydrate
CID 158821084
tert-butyl 4-acetylpiperidine-1-carboxylate;tert-butyl 4-(5-amino-1-propan-2-ylpyrazol-3-yl)piperidine-1-carboxylate;tert-butyl 4-(2-isocyanoacetyl)piperidine-1-carboxylate;tert-butyl 4-[5-[[8-(2-methoxyphenyl)quinazolin-2-yl]amino]-1-propan-2-ylpyrazol-3-yl]piperidine-1-carboxylate;N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-8-(2-methoxyphenyl)quinazolin-2-amine;propan-2-yldiazene;2,2,2-trifluoroacetic acid;hydrochloride
CID 159829585
N-[5-[2-[(4-aminocyclohexyl)amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)quinazolin-2-yl]-N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]-N-[6-[1-methyl-3-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]pyrazol-5-yl]quinazolin-2-yl]carbamate;2-[3-(trifluoromethyl)phenyl]acetic acid
CID 159966661

Frequently Asked Questions

What is the IUPAC name of lithium;N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide;benzoic acid;tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)-8-ethylquinazolin-2-yl]-N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]-N-[8-ethyl-6-[3-[[2-[2-methoxy-5-(trifluoromethyl)phenyl]acetyl]amino]-1-methylpyrazol-5-yl]quinazolin-2-yl]carbamate;2-diazo-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanone;2-methoxy-5-(trifluoromethyl)benzoic acid;2-[2-methoxy-5-(trifluoromethyl)phenyl]acetic acid;methyl 2-[2-methoxy-5-(trifluoromethyl)phenyl]acetate;silver;hydroxide?
The IUPAC name of lithium;N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide;benzoic acid;tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)-8-ethylquinazolin-2-yl]-N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]-N-[8-ethyl-6-[3-[[2-[2-methoxy-5-(trifluoromethyl)phenyl]acetyl]amino]-1-methylpyrazol-5-yl]quinazolin-2-yl]carbamate;2-diazo-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanone;2-methoxy-5-(trifluoromethyl)benzoic acid;2-[2-methoxy-5-(trifluoromethyl)phenyl]acetic acid;methyl 2-[2-methoxy-5-(trifluoromethyl)phenyl]acetate;silver;hydroxide (CID 158532285) is lithium;N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide;benzoic acid;tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)-8-ethylquinazolin-2-yl]-N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]-N-[8-ethyl-6-[3-[[2-[2-methoxy-5-(trifluoromethyl)phenyl]acetyl]amino]-1-methylpyrazol-5-yl]quinazolin-2-yl]carbamate;2-diazo-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanone;2-methoxy-5-(trifluoromethyl)benzoic acid;2-[2-methoxy-5-(trifluoromethyl)phenyl]acetic acid;methyl 2-[2-methoxy-5-(trifluoromethyl)phenyl]acetate;silver;hydroxide.
What is the SMILES notation for lithium;N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide;benzoic acid;tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)-8-ethylquinazolin-2-yl]-N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]-N-[8-ethyl-6-[3-[[2-[2-methoxy-5-(trifluoromethyl)phenyl]acetyl]amino]-1-methylpyrazol-5-yl]quinazolin-2-yl]carbamate;2-diazo-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanone;2-methoxy-5-(trifluoromethyl)benzoic acid;2-[2-methoxy-5-(trifluoromethyl)phenyl]acetic acid;methyl 2-[2-methoxy-5-(trifluoromethyl)phenyl]acetate;silver;hydroxide?
The canonical SMILES for lithium;N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide;benzoic acid;tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)-8-ethylquinazolin-2-yl]-N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]-N-[8-ethyl-6-[3-[[2-[2-methoxy-5-(trifluoromethyl)phenyl]acetyl]amino]-1-methylpyrazol-5-yl]quinazolin-2-yl]carbamate;2-diazo-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanone;2-methoxy-5-(trifluoromethyl)benzoic acid;2-[2-methoxy-5-(trifluoromethyl)phenyl]acetic acid;methyl 2-[2-methoxy-5-(trifluoromethyl)phenyl]acetate;silver;hydroxide is CCc1cc(-c2cc(N)nn2C)cc2cnc(N(C(=O)OC(C)(C)C)C3CCC(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CC3)nc12.CCc1cc(-c2cc(NC(=O)Cc3cc(C(F)(F)F)ccc3OC)nn2C)cc2cnc(N(C(=O)OC(C)(C)C)C3CCC(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CC3)nc12.CCc1cc(-c2cc(NC(=O)Cc3cc(C(F)(F)F)ccc3OC)nn2C)cc2cnc(NC3CCC(N)CC3)nc12.COC(=O)Cc1cc(C(F)(F)F)ccc1OC.COc1ccc(C(F)(F)F)cc1C(=O)C=[N+]=[N-].COc1ccc(C(F)(F)F)cc1C(=O)O.COc1ccc(C(F)(F)F)cc1CC(=O)O.O=C(O)c1ccccc1.[Ag].[Li+].[OH-].
What is the InChIKey of lithium;N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide;benzoic acid;tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)-8-ethylquinazolin-2-yl]-N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]-N-[8-ethyl-6-[3-[[2-[2-methoxy-5-(trifluoromethyl)phenyl]acetyl]amino]-1-methylpyrazol-5-yl]quinazolin-2-yl]carbamate;2-diazo-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanone;2-methoxy-5-(trifluoromethyl)benzoic acid;2-[2-methoxy-5-(trifluoromethyl)phenyl]acetic acid;methyl 2-[2-methoxy-5-(trifluoromethyl)phenyl]acetate;silver;hydroxide?
The InChIKey is FLOZGMZSQJYFJQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C45H58F3N7O8.C35H51N7O6.C30H34F3N7O2.C11H11F3O3.C10H7F3N2O2.C10H9F3O3.C9H7F3O3.C7H6O2.Ag.Li.H2O/c1-13-26-20-27(33-24-35(52-53(33)11)50-36(56)23-28-22-30(45(46,47)48)14-19-34(28)60-12)21-29-25-49-38(51-37(26)29)54(39(57)61-42(2,3)4)31-15-17-32(18-16-31)55(40(58)62-43(5,6)7)41(59)63-44(8,9)10;1-12-21-17-22(26-19-27(36)39-40(26)11)18-23-20-37-29(38-28(21)23)41(30(43)46-33(2,3)4)24-13-15-25(16-14-24)42(31(44)47-34(5,6)7)32(45)48-35(8,9)10;1-4-17-11-18(12-20-16-35-29(38-28(17)20)36-23-8-6-22(34)7-9-23)24-15-26(39-40(24)2)37-27(41)14-19-13-21(30(31,32)33)5-10-25(19)42-3;1-16-9-4-3-8(11(12,13)14)5-7(9)6-10(15)17-2;1-17-9-3-2-6(10(11,12)13)4-7(9)8(16)5-15-14;1-16-8-3-2-7(10(11,12)13)4-6(8)5-9(14)15;1-15-7-3-2-5(9(10,11)12)4-6(7)8(13)14;8-7(9)6-4-2-1-3-5-6;;;/h14,19-22,24-25,31-32H,13,15-18,23H2,1-12H3,(H,50,52,56);17-20,24-25H,12-16H2,1-11H3,(H2,36,39);5,10-13,15-16,22-23H,4,6-9,14,34H2,1-3H3,(H,35,36,38)(H,37,39,41);3-5H,6H2,1-2H3;2-5H,1H3;2-4H,5H2,1H3,(H,14,15);2-4H,1H3,(H,13,14);1-5H,(H,8,9);;;1H2/q;;;;;;;;;+1;/p-1.
What are the key properties of lithium;N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide;benzoic acid;tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)-8-ethylquinazolin-2-yl]-N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]-N-[8-ethyl-6-[3-[[2-[2-methoxy-5-(trifluoromethyl)phenyl]acetyl]amino]-1-methylpyrazol-5-yl]quinazolin-2-yl]carbamate;2-diazo-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanone;2-methoxy-5-(trifluoromethyl)benzoic acid;2-[2-methoxy-5-(trifluoromethyl)phenyl]acetic acid;methyl 2-[2-methoxy-5-(trifluoromethyl)phenyl]acetate;silver;hydroxide?
lithium;N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide;benzoic acid;tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)-8-ethylquinazolin-2-yl]-N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]-N-[8-ethyl-6-[3-[[2-[2-methoxy-5-(trifluoromethyl)phenyl]acetyl]amino]-1-methylpyrazol-5-yl]quinazolin-2-yl]carbamate;2-diazo-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanone;2-methoxy-5-(trifluoromethyl)benzoic acid;2-[2-methoxy-5-(trifluoromethyl)phenyl]acetic acid;methyl 2-[2-methoxy-5-(trifluoromethyl)phenyl]acetate;silver;hydroxide has a molecular weight of 3330.10 g/mol, XLogP of 30.50, 34 rotatable bonds, 8 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide;benzoic acid;tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)-8-ethylquinazolin-2-yl]-N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]-N-[8-ethyl-6-[3-[[2-[2-methoxy-5-(trifluoromethyl)phenyl]acetyl]amino]-1-methylpyrazol-5-yl]quinazolin-2-yl]carbamate;2-diazo-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanone;2-methoxy-5-(trifluoromethyl)benzoic acid;2-[2-methoxy-5-(trifluoromethyl)phenyl]acetic acid;methyl 2-[2-methoxy-5-(trifluoromethyl)phenyl]acetate;silver;hydroxide is sourced from PubChem (CID 158532285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).