2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2,2-dimethyl-3-[4-[5-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid;methyl 3-[4-[5-(5-cyano-1H-imidazol-2-yl)-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 3-[4-[5-[4-cyano-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 3-[4-[5-[4-(N'-hydroxycarbamimidoyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate

C207H249BBrF9N32O34Si5 — CID 158644328

IUPAC2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2,2-dimethyl-3-[4-[5-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid;methyl 3-[4-[5-(5-cyano-1H-imidazol-2-yl)-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 3-[4-[5-[4-cyano-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 3-[4-[5-[4-(N'-hydroxycarbamimidoyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)COc1ccc(-c2ccc(-c3nc(-c4noc(C)n4)cn3COCC[Si](C)(C)C)cn2)cc1.COC(=O)C(C)(C)COc1ccc(-c2ccc(-c3nc(C#N)cn3COCC[Si](C)(C)C)cn2)cc1.COC(=O)C(C)(C)COc1ccc(-c2ccc(-c3nc(C(F)(F)F)cn3COCC[Si](C)(C)C)cn2)cc1.COC(=O)C(C)(C)COc1ccc(-c2ccc(-c3nc(C(N)=NO)cn3COCC[Si](C)(C)C)cn2)cc1.COC(=O)C(C)(C)COc1ccc(-c2ccc(-c3ncc(C#N)[nH]3)cn2)cc1.COC(=O)C(C)(C)COc1ccc(-c2ccc(-c3ncc(C(F)(F)F)[nH]3)cn2)cc1.COC(=O)C(C)(C)COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1.C[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ccc(Br)nc1.Cc1nc(-c2cnc(-c3ccc(-c4ccc(OCC(C)(C)C(=O)O)cc4)nc3)[nH]2)no1
InChIInChI=1S/C29H37N5O5Si.C27H34F3N3O4Si.C27H37N5O5Si.C27H34N4O4Si.C22H21N5O4.C21H20F3N3O3.C21H20N4O3.C18H27BO5.C15H19BrF3N3OSi/c1-20-31-26(33-39-20)25-17-34(19-37-14-15-40(5,6)7)27(32-25)22-10-13-24(30-16-22)21-8-11-23(12-9-21)38-18-29(2,3)28(35)36-4;1-26(2,25(34)35-3)17-37-21-10-7-19(8-11-21)22-12-9-20(15-31-22)24-32-23(27(28,29)30)16-33(24)18-36-13-14-38(4,5)6;1-27(2,26(33)35-3)17-37-21-10-7-19(8-11-21)22-12-9-20(15-29-22)25-30-23(24(28)31-34)16-32(25)18-36-13-14-38(4,5)6;1-27(2,26(32)33-3)18-35-23-10-7-20(8-11-23)24-12-9-21(16-29-24)25-30-22(15-28)17-31(25)19-34-13-14-36(4,5)6;1-13-25-20(27-31-13)18-11-24-19(26-18)15-6-9-17(23-10-15)14-4-7-16(8-5-14)30-12-22(2,3)21(28)29;1-20(2,19(28)29-3)12-30-15-7-4-13(5-8-15)16-9-6-14(10-25-16)18-26-11-17(27-18)21(22,23)24;1-21(2,20(26)27-3)13-28-17-7-4-14(5-8-17)18-9-6-15(11-23-18)19-24-12-16(10-22)25-19;1-16(2,15(20)21-7)12-22-14-10-8-13(9-11-14)19-23-17(3,4)18(5,6)24-19;1-24(2,3)7-6-23-10-22-9-12(15(17,18)19)21-14(22)11-4-5-13(16)20-8-11/h8-13,16-17H,14-15,18-19H2,1-7H3;7-12,15-16H,13-14,17-18H2,1-6H3;7-12,15-16,34H,13-14,17-18H2,1-6H3,(H2,28,31);7-12,16-17H,13-14,18-19H2,1-6H3;4-11H,12H2,1-3H3,(H,24,26)(H,28,29);4-11H,12H2,1-3H3,(H,26,27);4-9,11-12H,13H2,1-3H3,(H,24,25);8-11H,12H2,1-7H3;4-5,8-9H,6-7,10H2,1-3H3
InChIKeyIATVAULUXHMNHB-UHFFFAOYSA-N
MW4131.59 g/mol
LogP42.27
Rot. Bonds76

About 2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2,2-dimethyl-3-[4-[5-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid;methyl 3-[4-[5-(5-cyano-1H-imidazol-2-yl)-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 3-[4-[5-[4-cyano-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 3-[4-[5-[4-(N'-hydroxycarbamimidoyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate

2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2,2-dimethyl-3-[4-[5-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid;methyl 3-[4-[5-(5-cyano-1H-imidazol-2-yl)-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 3-[4-[5-[4-cyano-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 3-[4-[5-[4-(N'-hydroxycarbamimidoyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate (PubChem CID 158644328) has the molecular formula C207H249BBrF9N32O34Si5 and a molecular weight of 4131.59 g/mol. Its IUPAC name is 2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2,2-dimethyl-3-[4-[5-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid;methyl 3-[4-[5-(5-cyano-1H-imidazol-2-yl)-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 3-[4-[5-[4-cyano-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 3-[4-[5-[4-(N'-hydroxycarbamimidoyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate.

Molecular Properties

Compound Name2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2,2-dimethyl-3-[4-[5-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid;methyl 3-[4-[5-(5-cyano-1H-imidazol-2-yl)-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 3-[4-[5-[4-cyano-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 3-[4-[5-[4-(N'-hydroxycarbamimidoyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate
PubChem CID158644328
Molecular FormulaC207H249BBrF9N32O34Si5
Molecular Weight4131.59 g/mol
Exact Mass4127.67
IUPAC Name2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2,2-dimethyl-3-[4-[5-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid;methyl 3-[4-[5-(5-cyano-1H-imidazol-2-yl)-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 3-[4-[5-[4-cyano-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 3-[4-[5-[4-(N'-hydroxycarbamimidoyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)COc1ccc(-c2ccc(-c3nc(-c4noc(C)n4)cn3COCC[Si](C)(C)C)cn2)cc1.COC(=O)C(C)(C)COc1ccc(-c2ccc(-c3nc(C#N)cn3COCC[Si](C)(C)C)cn2)cc1.COC(=O)C(C)(C)COc1ccc(-c2ccc(-c3nc(C(F)(F)F)cn3COCC[Si](C)(C)C)cn2)cc1.COC(=O)C(C)(C)COc1ccc(-c2ccc(-c3nc(C(N)=NO)cn3COCC[Si](C)(C)C)cn2)cc1.COC(=O)C(C)(C)COc1ccc(-c2ccc(-c3ncc(C#N)[nH]3)cn2)cc1.COC(=O)C(C)(C)COc1ccc(-c2ccc(-c3ncc(C(F)(F)F)[nH]3)cn2)cc1.COC(=O)C(C)(C)COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1.C[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ccc(Br)nc1.Cc1nc(-c2cnc(-c3ccc(-c4ccc(OCC(C)(C)C(=O)O)cc4)nc3)[nH]2)no1
InChIInChI=1S/C29H37N5O5Si.C27H34F3N3O4Si.C27H37N5O5Si.C27H34N4O4Si.C22H21N5O4.C21H20F3N3O3.C21H20N4O3.C18H27BO5.C15H19BrF3N3OSi/c1-20-31-26(33-39-20)25-17-34(19-37-14-15-40(5,6)7)27(32-25)22-10-13-24(30-16-22)21-8-11-23(12-9-21)38-18-29(2,3)28(35)36-4;1-26(2,25(34)35-3)17-37-21-10-7-19(8-11-21)22-12-9-20(15-31-22)24-32-23(27(28,29)30)16-33(24)18-36-13-14-38(4,5)6;1-27(2,26(33)35-3)17-37-21-10-7-19(8-11-21)22-12-9-20(15-29-22)25-30-23(24(28)31-34)16-32(25)18-36-13-14-38(4,5)6;1-27(2,26(32)33-3)18-35-23-10-7-20(8-11-23)24-12-9-21(16-29-24)25-30-22(15-28)17-31(25)19-34-13-14-36(4,5)6;1-13-25-20(27-31-13)18-11-24-19(26-18)15-6-9-17(23-10-15)14-4-7-16(8-5-14)30-12-22(2,3)21(28)29;1-20(2,19(28)29-3)12-30-15-7-4-13(5-8-15)16-9-6-14(10-25-16)18-26-11-17(27-18)21(22,23)24;1-21(2,20(26)27-3)13-28-17-7-4-14(5-8-17)18-9-6-15(11-23-18)19-24-12-16(10-22)25-19;1-16(2,15(20)21-7)12-22-14-10-8-13(9-11-14)19-23-17(3,4)18(5,6)24-19;1-24(2,3)7-6-23-10-22-9-12(15(17,18)19)21-14(22)11-4-5-13(16)20-8-11/h8-13,16-17H,14-15,18-19H2,1-7H3;7-12,15-16H,13-14,17-18H2,1-6H3;7-12,15-16,34H,13-14,17-18H2,1-6H3,(H2,28,31);7-12,16-17H,13-14,18-19H2,1-6H3;4-11H,12H2,1-3H3,(H,24,26)(H,28,29);4-11H,12H2,1-3H3,(H,26,27);4-9,11-12H,13H2,1-3H3,(H,24,25);8-11H,12H2,1-7H3;4-5,8-9H,6-7,10H2,1-3H3
InChIKeyIATVAULUXHMNHB-UHFFFAOYSA-N
XLogP42.27
TPSA822.14 Ų
H-Bond Donors6
H-Bond Acceptors61
Rotatable Bonds76
Heavy Atoms289
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004131.59
LogP ≤ 542.27
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1061

Analyze 2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2,2-dimethyl-3-[4-[5-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid;methyl 3-[4-[5-(5-cyano-1H-imidazol-2-yl)-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 3-[4-[5-[4-cyano-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 3-[4-[5-[4-(N'-hydroxycarbamimidoyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2,2-dimethyl-3-[4-[5-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid;methyl 3-[4-[5-(5-cyano-1H-imidazol-2-yl)-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 3-[4-[5-[4-cyano-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 3-[4-[5-[4-(N'-hydroxycarbamimidoyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate?
The IUPAC name of 2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2,2-dimethyl-3-[4-[5-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid;methyl 3-[4-[5-(5-cyano-1H-imidazol-2-yl)-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 3-[4-[5-[4-cyano-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 3-[4-[5-[4-(N'-hydroxycarbamimidoyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate (CID 158644328) is 2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2,2-dimethyl-3-[4-[5-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid;methyl 3-[4-[5-(5-cyano-1H-imidazol-2-yl)-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 3-[4-[5-[4-cyano-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 3-[4-[5-[4-(N'-hydroxycarbamimidoyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate.
What is the SMILES notation for 2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2,2-dimethyl-3-[4-[5-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid;methyl 3-[4-[5-(5-cyano-1H-imidazol-2-yl)-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 3-[4-[5-[4-cyano-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 3-[4-[5-[4-(N'-hydroxycarbamimidoyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate?
The canonical SMILES for 2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2,2-dimethyl-3-[4-[5-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid;methyl 3-[4-[5-(5-cyano-1H-imidazol-2-yl)-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 3-[4-[5-[4-cyano-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 3-[4-[5-[4-(N'-hydroxycarbamimidoyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate is COC(=O)C(C)(C)COc1ccc(-c2ccc(-c3nc(-c4noc(C)n4)cn3COCC[Si](C)(C)C)cn2)cc1.COC(=O)C(C)(C)COc1ccc(-c2ccc(-c3nc(C#N)cn3COCC[Si](C)(C)C)cn2)cc1.COC(=O)C(C)(C)COc1ccc(-c2ccc(-c3nc(C(F)(F)F)cn3COCC[Si](C)(C)C)cn2)cc1.COC(=O)C(C)(C)COc1ccc(-c2ccc(-c3nc(C(N)=NO)cn3COCC[Si](C)(C)C)cn2)cc1.COC(=O)C(C)(C)COc1ccc(-c2ccc(-c3ncc(C#N)[nH]3)cn2)cc1.COC(=O)C(C)(C)COc1ccc(-c2ccc(-c3ncc(C(F)(F)F)[nH]3)cn2)cc1.COC(=O)C(C)(C)COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1.C[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ccc(Br)nc1.Cc1nc(-c2cnc(-c3ccc(-c4ccc(OCC(C)(C)C(=O)O)cc4)nc3)[nH]2)no1.
What is the InChIKey of 2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2,2-dimethyl-3-[4-[5-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid;methyl 3-[4-[5-(5-cyano-1H-imidazol-2-yl)-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 3-[4-[5-[4-cyano-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 3-[4-[5-[4-(N'-hydroxycarbamimidoyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate?
The InChIKey is IATVAULUXHMNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N5O5Si.C27H34F3N3O4Si.C27H37N5O5Si.C27H34N4O4Si.C22H21N5O4.C21H20F3N3O3.C21H20N4O3.C18H27BO5.C15H19BrF3N3OSi/c1-20-31-26(33-39-20)25-17-34(19-37-14-15-40(5,6)7)27(32-25)22-10-13-24(30-16-22)21-8-11-23(12-9-21)38-18-29(2,3)28(35)36-4;1-26(2,25(34)35-3)17-37-21-10-7-19(8-11-21)22-12-9-20(15-31-22)24-32-23(27(28,29)30)16-33(24)18-36-13-14-38(4,5)6;1-27(2,26(33)35-3)17-37-21-10-7-19(8-11-21)22-12-9-20(15-29-22)25-30-23(24(28)31-34)16-32(25)18-36-13-14-38(4,5)6;1-27(2,26(32)33-3)18-35-23-10-7-20(8-11-23)24-12-9-21(16-29-24)25-30-22(15-28)17-31(25)19-34-13-14-36(4,5)6;1-13-25-20(27-31-13)18-11-24-19(26-18)15-6-9-17(23-10-15)14-4-7-16(8-5-14)30-12-22(2,3)21(28)29;1-20(2,19(28)29-3)12-30-15-7-4-13(5-8-15)16-9-6-14(10-25-16)18-26-11-17(27-18)21(22,23)24;1-21(2,20(26)27-3)13-28-17-7-4-14(5-8-17)18-9-6-15(11-23-18)19-24-12-16(10-22)25-19;1-16(2,15(20)21-7)12-22-14-10-8-13(9-11-14)19-23-17(3,4)18(5,6)24-19;1-24(2,3)7-6-23-10-22-9-12(15(17,18)19)21-14(22)11-4-5-13(16)20-8-11/h8-13,16-17H,14-15,18-19H2,1-7H3;7-12,15-16H,13-14,17-18H2,1-6H3;7-12,15-16,34H,13-14,17-18H2,1-6H3,(H2,28,31);7-12,16-17H,13-14,18-19H2,1-6H3;4-11H,12H2,1-3H3,(H,24,26)(H,28,29);4-11H,12H2,1-3H3,(H,26,27);4-9,11-12H,13H2,1-3H3,(H,24,25);8-11H,12H2,1-7H3;4-5,8-9H,6-7,10H2,1-3H3.
What are the key properties of 2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2,2-dimethyl-3-[4-[5-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid;methyl 3-[4-[5-(5-cyano-1H-imidazol-2-yl)-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 3-[4-[5-[4-cyano-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 3-[4-[5-[4-(N'-hydroxycarbamimidoyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate?
2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2,2-dimethyl-3-[4-[5-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid;methyl 3-[4-[5-(5-cyano-1H-imidazol-2-yl)-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 3-[4-[5-[4-cyano-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 3-[4-[5-[4-(N'-hydroxycarbamimidoyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate has a molecular weight of 4131.59 g/mol, XLogP of 42.27, 76 rotatable bonds, 6 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2,2-dimethyl-3-[4-[5-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid;methyl 3-[4-[5-(5-cyano-1H-imidazol-2-yl)-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 3-[4-[5-[4-cyano-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoate;methyl 3-[4-[5-[4-(N'-hydroxycarbamimidoyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate is sourced from PubChem (CID 158644328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).