About 2-[[3-(4-bromophenyl)-5-(4,4-difluoropiperidin-1-yl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(4-bromophenyl)-3-(4,4-difluoropiperidin-1-yl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl 3-[[5-[4-[5-(4,4-difluoropiperidin-1-yl)-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoate;tert-butyl 3-[[5-[4-[5-(4,4-difluoropiperidin-1-yl)-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoate;tert-butyl 2,2-dimethyl-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]propanoate;3-[[5-[4-[3-(4,4-difluoropiperidin-1-yl)-1H-1,2,4-triazol-5-yl]phenyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid
2-[[3-(4-bromophenyl)-5-(4,4-difluoropiperidin-1-yl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(4-bromophenyl)-3-(4,4-difluoropiperidin-1-yl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl 3-[[5-[4-[5-(4,4-difluoropiperidin-1-yl)-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoate;tert-butyl 3-[[5-[4-[5-(4,4-difluoropiperidin-1-yl)-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoate;tert-butyl 2,2-dimethyl-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]propanoate;3-[[5-[4-[3-(4,4-difluoropiperidin-1-yl)-1H-1,2,4-triazol-5-yl]phenyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid (PubChem CID 160917158) has the molecular formula C147H205BBr2F10N24O18Si4
and a molecular weight of 3069.35 g/mol. Its IUPAC name is 2-[[3-(4-bromophenyl)-5-(4,4-difluoropiperidin-1-yl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(4-bromophenyl)-3-(4,4-difluoropiperidin-1-yl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl 3-[[5-[4-[5-(4,4-difluoropiperidin-1-yl)-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoate;tert-butyl 3-[[5-[4-[5-(4,4-difluoropiperidin-1-yl)-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoate;tert-butyl 2,2-dimethyl-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]propanoate;3-[[5-[4-[3-(4,4-difluoropiperidin-1-yl)-1H-1,2,4-triazol-5-yl]phenyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid.
Frequently Asked Questions
What is the IUPAC name of 2-[[3-(4-bromophenyl)-5-(4,4-difluoropiperidin-1-yl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(4-bromophenyl)-3-(4,4-difluoropiperidin-1-yl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl 3-[[5-[4-[5-(4,4-difluoropiperidin-1-yl)-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoate;tert-butyl 3-[[5-[4-[5-(4,4-difluoropiperidin-1-yl)-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoate;tert-butyl 2,2-dimethyl-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]propanoate;3-[[5-[4-[3-(4,4-difluoropiperidin-1-yl)-1H-1,2,4-triazol-5-yl]phenyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid?
The IUPAC name of 2-[[3-(4-bromophenyl)-5-(4,4-difluoropiperidin-1-yl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(4-bromophenyl)-3-(4,4-difluoropiperidin-1-yl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl 3-[[5-[4-[5-(4,4-difluoropiperidin-1-yl)-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoate;tert-butyl 3-[[5-[4-[5-(4,4-difluoropiperidin-1-yl)-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoate;tert-butyl 2,2-dimethyl-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]propanoate;3-[[5-[4-[3-(4,4-difluoropiperidin-1-yl)-1H-1,2,4-triazol-5-yl]phenyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid (CID 160917158) is 2-[[3-(4-bromophenyl)-5-(4,4-difluoropiperidin-1-yl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(4-bromophenyl)-3-(4,4-difluoropiperidin-1-yl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl 3-[[5-[4-[5-(4,4-difluoropiperidin-1-yl)-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoate;tert-butyl 3-[[5-[4-[5-(4,4-difluoropiperidin-1-yl)-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoate;tert-butyl 2,2-dimethyl-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]propanoate;3-[[5-[4-[3-(4,4-difluoropiperidin-1-yl)-1H-1,2,4-triazol-5-yl]phenyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 2-[[3-(4-bromophenyl)-5-(4,4-difluoropiperidin-1-yl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(4-bromophenyl)-3-(4,4-difluoropiperidin-1-yl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl 3-[[5-[4-[5-(4,4-difluoropiperidin-1-yl)-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoate;tert-butyl 3-[[5-[4-[5-(4,4-difluoropiperidin-1-yl)-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoate;tert-butyl 2,2-dimethyl-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]propanoate;3-[[5-[4-[3-(4,4-difluoropiperidin-1-yl)-1H-1,2,4-triazol-5-yl]phenyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid?
The canonical SMILES for 2-[[3-(4-bromophenyl)-5-(4,4-difluoropiperidin-1-yl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(4-bromophenyl)-3-(4,4-difluoropiperidin-1-yl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl 3-[[5-[4-[5-(4,4-difluoropiperidin-1-yl)-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoate;tert-butyl 3-[[5-[4-[5-(4,4-difluoropiperidin-1-yl)-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoate;tert-butyl 2,2-dimethyl-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]propanoate;3-[[5-[4-[3-(4,4-difluoropiperidin-1-yl)-1H-1,2,4-triazol-5-yl]phenyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid is CC(C)(C)OC(=O)C(C)(C)COc1ccc(-c2ccc(-c3nc(N4CCC(F)(F)CC4)n(COCC[Si](C)(C)C)n3)cc2)cn1.CC(C)(C)OC(=O)C(C)(C)COc1ccc(-c2ccc(-c3nc(N4CCC(F)(F)CC4)nn3COCC[Si](C)(C)C)cc2)cn1.CC(C)(C)OC(=O)C(C)(C)COc1ccc(B2OC(C)(C)C(C)(C)O2)cn1.CC(C)(COc1ccc(-c2ccc(-c3nc(N4CCC(F)(F)CC4)n[nH]3)cc2)cn1)C(=O)O.C[Si](C)(C)CCOCn1nc(-c2ccc(Br)cc2)nc1N1CCC(F)(F)CC1.C[Si](C)(C)CCOCn1nc(N2CCC(F)(F)CC2)nc1-c1ccc(Br)cc1.
What is the InChIKey of 2-[[3-(4-bromophenyl)-5-(4,4-difluoropiperidin-1-yl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(4-bromophenyl)-3-(4,4-difluoropiperidin-1-yl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl 3-[[5-[4-[5-(4,4-difluoropiperidin-1-yl)-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoate;tert-butyl 3-[[5-[4-[5-(4,4-difluoropiperidin-1-yl)-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoate;tert-butyl 2,2-dimethyl-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]propanoate;3-[[5-[4-[3-(4,4-difluoropiperidin-1-yl)-1H-1,2,4-triazol-5-yl]phenyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid?
The InChIKey is SROBLGHPMZNIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C33H47F2N5O4Si.C23H25F2N5O3.C20H32BNO5.2C19H27BrF2N4OSi/c1-31(2,3)44-29(41)32(4,5)22-43-27-14-13-26(21-36-27)24-9-11-25(12-10-24)28-37-30(39-17-15-33(34,35)16-18-39)38-40(28)23-42-19-20-45(6,7)8;1-31(2,3)44-29(41)32(4,5)22-43-27-14-13-26(21-36-27)24-9-11-25(12-10-24)28-37-30(39-17-15-33(34,35)16-18-39)40(38-28)23-42-19-20-45(6,7)8;1-22(2,20(31)32)14-33-18-8-7-17(13-26-18)15-3-5-16(6-4-15)19-27-21(29-28-19)30-11-9-23(24,25)10-12-30;1-17(2,3)25-16(23)18(4,5)13-24-15-11-10-14(12-22-15)21-26-19(6,7)20(8,9)27-21;1-28(2,3)13-12-27-14-26-17(15-4-6-16(20)7-5-15)23-18(24-26)25-10-8-19(21,22)9-11-25;1-28(2,3)13-12-27-14-26-18(25-10-8-19(21,22)9-11-25)23-17(24-26)15-4-6-16(20)7-5-15/h2*9-14,21H,15-20,22-23H2,1-8H3;3-8,13H,9-12,14H2,1-2H3,(H,31,32)(H,27,28,29);10-12H,13H2,1-9H3;2*4-7H,8-14H2,1-3H3.
What are the key properties of 2-[[3-(4-bromophenyl)-5-(4,4-difluoropiperidin-1-yl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(4-bromophenyl)-3-(4,4-difluoropiperidin-1-yl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl 3-[[5-[4-[5-(4,4-difluoropiperidin-1-yl)-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoate;tert-butyl 3-[[5-[4-[5-(4,4-difluoropiperidin-1-yl)-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoate;tert-butyl 2,2-dimethyl-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]propanoate;3-[[5-[4-[3-(4,4-difluoropiperidin-1-yl)-1H-1,2,4-triazol-5-yl]phenyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid?
2-[[3-(4-bromophenyl)-5-(4,4-difluoropiperidin-1-yl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(4-bromophenyl)-3-(4,4-difluoropiperidin-1-yl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl 3-[[5-[4-[5-(4,4-difluoropiperidin-1-yl)-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoate;tert-butyl 3-[[5-[4-[5-(4,4-difluoropiperidin-1-yl)-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoate;tert-butyl 2,2-dimethyl-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]propanoate;3-[[5-[4-[3-(4,4-difluoropiperidin-1-yl)-1H-1,2,4-triazol-5-yl]phenyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid has a molecular weight of 3069.35 g/mol, XLogP of 32.50, 50 rotatable bonds, 2 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-bromophenyl)-5-(4,4-difluoropiperidin-1-yl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(4-bromophenyl)-3-(4,4-difluoropiperidin-1-yl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl 3-[[5-[4-[5-(4,4-difluoropiperidin-1-yl)-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoate;tert-butyl 3-[[5-[4-[5-(4,4-difluoropiperidin-1-yl)-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoate;tert-butyl 2,2-dimethyl-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]propanoate;3-[[5-[4-[3-(4,4-difluoropiperidin-1-yl)-1H-1,2,4-triazol-5-yl]phenyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 160917158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).