About 1-[4-(2-amino-2-hydroxyethoxy)-3-methoxyphenyl]-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(imidazol-1-ylmethyl)-3-methoxyphenyl]butan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-4-[4-ethyl-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentan-1-one;2-[4-[5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide
1-[4-(2-amino-2-hydroxyethoxy)-3-methoxyphenyl]-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(imidazol-1-ylmethyl)-3-methoxyphenyl]butan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-4-[4-ethyl-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentan-1-one;2-[4-[5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide (PubChem CID 167695147) has the molecular formula C168H172F17N11O31
and a molecular weight of 3164.24 g/mol. Its IUPAC name is 1-[4-(2-amino-2-hydroxyethoxy)-3-methoxyphenyl]-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(imidazol-1-ylmethyl)-3-methoxyphenyl]butan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-4-[4-ethyl-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentan-1-one;2-[4-[5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide.
Frequently Asked Questions
What is the IUPAC name of 1-[4-(2-amino-2-hydroxyethoxy)-3-methoxyphenyl]-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(imidazol-1-ylmethyl)-3-methoxyphenyl]butan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-4-[4-ethyl-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentan-1-one;2-[4-[5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide?
The IUPAC name of 1-[4-(2-amino-2-hydroxyethoxy)-3-methoxyphenyl]-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(imidazol-1-ylmethyl)-3-methoxyphenyl]butan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-4-[4-ethyl-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentan-1-one;2-[4-[5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide (CID 167695147) is 1-[4-(2-amino-2-hydroxyethoxy)-3-methoxyphenyl]-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(imidazol-1-ylmethyl)-3-methoxyphenyl]butan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-4-[4-ethyl-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentan-1-one;2-[4-[5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide.
What is the SMILES notation for 1-[4-(2-amino-2-hydroxyethoxy)-3-methoxyphenyl]-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(imidazol-1-ylmethyl)-3-methoxyphenyl]butan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-4-[4-ethyl-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentan-1-one;2-[4-[5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide?
The canonical SMILES for 1-[4-(2-amino-2-hydroxyethoxy)-3-methoxyphenyl]-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(imidazol-1-ylmethyl)-3-methoxyphenyl]butan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-4-[4-ethyl-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentan-1-one;2-[4-[5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide is CCc1cc(-c2ccc(F)c(C)c2)nc(C(C)(O)CCC(=O)c2ccc(OCC(F)F)c(OC)c2)c1.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OCC(N)=O.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C(F)F)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C(F)F)ccc1OCC(N)=O.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C(F)F)ccc1OCC(N)O.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C2CC2)ccc1Cn1ccnc1.
What is the InChIKey of 1-[4-(2-amino-2-hydroxyethoxy)-3-methoxyphenyl]-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(imidazol-1-ylmethyl)-3-methoxyphenyl]butan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-4-[4-ethyl-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentan-1-one;2-[4-[5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide?
The InChIKey is XNRCOGDCVXWJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32FN3O4.C28H28F3NO5.C28H30F3NO4.C27H26F4N2O6.C27H29F3N2O6.C27H27F3N2O6/c1-20-16-22(6-9-25(20)32)30-27(38-2)10-11-29(34-30)31(37,24-7-8-24)13-12-26(36)21-4-5-23(28(17-21)39-3)18-35-15-14-33-19-35;1-16-14-18(4-8-20(16)29)26-23(35-2)10-11-25(32-26)28(34,27(30)31)13-12-21(33)17-5-9-22(24(15-17)36-3)37-19-6-7-19;1-5-18-13-22(19-6-8-21(29)17(2)12-19)32-26(14-18)28(3,34)11-10-23(33)20-7-9-24(25(15-20)35-4)36-16-27(30)31;1-15-12-17(4-6-18(15)28)25-21(37-2)8-9-23(33-25)26(36,27(29,30)31)11-10-19(34)16-5-7-20(22(13-16)38-3)39-14-24(32)35;2*1-15-12-17(4-6-18(15)28)25-21(36-2)8-9-23(32-25)27(35,26(29)30)11-10-19(33)16-5-7-20(22(13-16)37-3)38-14-24(31)34/h4-6,9-11,14-17,19,24,37H,7-8,12-13,18H2,1-3H3;4-5,8-11,14-15,19,27,34H,6-7,12-13H2,1-3H3;6-9,12-15,27,34H,5,10-11,16H2,1-4H3;4-9,12-13,36H,10-11,14H2,1-3H3,(H2,32,35);4-9,12-13,24,26,34-35H,10-11,14,31H2,1-3H3;4-9,12-13,26,35H,10-11,14H2,1-3H3,(H2,31,34).
What are the key properties of 1-[4-(2-amino-2-hydroxyethoxy)-3-methoxyphenyl]-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(imidazol-1-ylmethyl)-3-methoxyphenyl]butan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-4-[4-ethyl-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentan-1-one;2-[4-[5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide?
1-[4-(2-amino-2-hydroxyethoxy)-3-methoxyphenyl]-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(imidazol-1-ylmethyl)-3-methoxyphenyl]butan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-4-[4-ethyl-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentan-1-one;2-[4-[5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide has a molecular weight of 3164.24 g/mol, XLogP of 30.54, 68 rotatable bonds, 10 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-amino-2-hydroxyethoxy)-3-methoxyphenyl]-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(imidazol-1-ylmethyl)-3-methoxyphenyl]butan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-4-[4-ethyl-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentan-1-one;2-[4-[5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide is sourced from PubChem (CID 167695147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).