About tert-butyl N-[2-[2-[5-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-yl]carbamate;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(propan-2-ylamino)propan-2-yl]-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxy-4-[4-[1-(methylamino)ethyl]-6-(4-methylphenyl)-2-pyridinyl]pentan-1-one;4-[4-[2-(ethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one
tert-butyl N-[2-[2-[5-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-yl]carbamate;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(propan-2-ylamino)propan-2-yl]-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxy-4-[4-[1-(methylamino)ethyl]-6-(4-methylphenyl)-2-pyridinyl]pentan-1-one;4-[4-[2-(ethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one (PubChem CID 160557141) has the molecular formula C160H181F21N10O23
and a molecular weight of 3011.21 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[5-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-yl]carbamate;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(propan-2-ylamino)propan-2-yl]-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxy-4-[4-[1-(methylamino)ethyl]-6-(4-methylphenyl)-2-pyridinyl]pentan-1-one;4-[4-[2-(ethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one.
Frequently Asked Questions
What is the IUPAC name of tert-butyl N-[2-[2-[5-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-yl]carbamate;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(propan-2-ylamino)propan-2-yl]-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxy-4-[4-[1-(methylamino)ethyl]-6-(4-methylphenyl)-2-pyridinyl]pentan-1-one;4-[4-[2-(ethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one?
The IUPAC name of tert-butyl N-[2-[2-[5-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-yl]carbamate;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(propan-2-ylamino)propan-2-yl]-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxy-4-[4-[1-(methylamino)ethyl]-6-(4-methylphenyl)-2-pyridinyl]pentan-1-one;4-[4-[2-(ethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one (CID 160557141) is tert-butyl N-[2-[2-[5-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-yl]carbamate;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(propan-2-ylamino)propan-2-yl]-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxy-4-[4-[1-(methylamino)ethyl]-6-(4-methylphenyl)-2-pyridinyl]pentan-1-one;4-[4-[2-(ethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one.
What is the SMILES notation for tert-butyl N-[2-[2-[5-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-yl]carbamate;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(propan-2-ylamino)propan-2-yl]-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxy-4-[4-[1-(methylamino)ethyl]-6-(4-methylphenyl)-2-pyridinyl]pentan-1-one;4-[4-[2-(ethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one?
The canonical SMILES for tert-butyl N-[2-[2-[5-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-yl]carbamate;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(propan-2-ylamino)propan-2-yl]-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxy-4-[4-[1-(methylamino)ethyl]-6-(4-methylphenyl)-2-pyridinyl]pentan-1-one;4-[4-[2-(ethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one is CCNC(C)(C)c1cc(-c2ccc(F)c(C)c2)nc(C(O)(CCC(=O)c2ccc(OCC(C)O)c(OC)c2)C(F)(F)F)c1.CNC(C)(C)c1cc(-c2ccc(F)c(C)c2)nc(C(O)(CCC(=O)c2ccc(OC3CC3)c(OC)c2)C(F)(F)F)c1.CNC(C)c1cc(-c2ccc(C)cc2)nc(C(O)(CCC(=O)c2ccc(OC3CC3)c(OC)c2)C(F)(F)F)c1.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)NC(=O)OC(C)(C)C)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OCC(F)F.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)NC(C)C)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CC1.
What is the InChIKey of tert-butyl N-[2-[2-[5-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-yl]carbamate;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(propan-2-ylamino)propan-2-yl]-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxy-4-[4-[1-(methylamino)ethyl]-6-(4-methylphenyl)-2-pyridinyl]pentan-1-one;4-[4-[2-(ethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one?
The InChIKey is QYVITHKJBMIFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38F6N2O6.C33H38F4N2O4.C32H38F4N2O5.C31H34F4N2O4.C30H33F3N2O4/c1-19-14-20(8-10-23(19)35)24-16-22(32(5,6)42-30(44)48-31(2,3)4)17-28(41-24)33(45,34(38,39)40)13-12-25(43)21-9-11-26(27(15-21)46-7)47-18-29(36)37;1-19(2)39-31(4,5)23-17-26(21-7-11-25(34)20(3)15-21)38-30(18-23)32(41,33(35,36)37)14-13-27(40)22-8-12-28(29(16-22)42-6)43-24-9-10-24;1-7-37-30(4,5)23-16-25(21-8-10-24(33)19(2)14-21)38-29(17-23)31(41,32(34,35)36)13-12-26(40)22-9-11-27(28(15-22)42-6)43-18-20(3)39;1-18-14-19(6-10-23(18)32)24-16-21(29(2,3)36-4)17-28(37-24)30(39,31(33,34)35)13-12-25(38)20-7-11-26(27(15-20)40-5)41-22-8-9-22;1-18-5-7-20(8-6-18)24-15-22(19(2)34-3)17-28(35-24)29(37,30(31,32)33)14-13-25(36)21-9-12-26(27(16-21)38-4)39-23-10-11-23/h8-11,14-17,29,45H,12-13,18H2,1-7H3,(H,42,44);7-8,11-12,15-19,24,39,41H,9-10,13-14H2,1-6H3;8-11,14-17,20,37,39,41H,7,12-13,18H2,1-6H3;6-7,10-11,14-17,22,36,39H,8-9,12-13H2,1-5H3;5-9,12,15-17,19,23,34,37H,10-11,13-14H2,1-4H3.
What are the key properties of tert-butyl N-[2-[2-[5-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-yl]carbamate;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(propan-2-ylamino)propan-2-yl]-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxy-4-[4-[1-(methylamino)ethyl]-6-(4-methylphenyl)-2-pyridinyl]pentan-1-one;4-[4-[2-(ethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one?
tert-butyl N-[2-[2-[5-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-yl]carbamate;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(propan-2-ylamino)propan-2-yl]-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxy-4-[4-[1-(methylamino)ethyl]-6-(4-methylphenyl)-2-pyridinyl]pentan-1-one;4-[4-[2-(ethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one has a molecular weight of 3011.21 g/mol, XLogP of 34.55, 59 rotatable bonds, 11 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-[5-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-yl]carbamate;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(propan-2-ylamino)propan-2-yl]-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxy-4-[4-[1-(methylamino)ethyl]-6-(4-methylphenyl)-2-pyridinyl]pentan-1-one;4-[4-[2-(ethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one is sourced from PubChem (CID 160557141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).