About 4-[4-(1-aminocyclobutyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;1-[4-(2-aminoethoxy)-3-methoxyphenyl]-4-[4-ethyl-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentan-1-one;4-[4-(aminomethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[4-[2-(2-fluoroethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentan-1-one;N-[1-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]cyclobutyl]acetamide;1-[4-(2,2-difluorocyclopropyl)oxy-3-methoxyphenyl]-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one
4-[4-(1-aminocyclobutyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;1-[4-(2-aminoethoxy)-3-methoxyphenyl]-4-[4-ethyl-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentan-1-one;4-[4-(aminomethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[4-[2-(2-fluoroethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentan-1-one;N-[1-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]cyclobutyl]acetamide;1-[4-(2,2-difluorocyclopropyl)oxy-3-methoxyphenyl]-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one (PubChem CID 167611367) has the molecular formula C180H189F24N11O27
and a molecular weight of 3394.49 g/mol. Its IUPAC name is 4-[4-(1-aminocyclobutyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;1-[4-(2-aminoethoxy)-3-methoxyphenyl]-4-[4-ethyl-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentan-1-one;4-[4-(aminomethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[4-[2-(2-fluoroethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentan-1-one;N-[1-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]cyclobutyl]acetamide;1-[4-(2,2-difluorocyclopropyl)oxy-3-methoxyphenyl]-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one.
Frequently Asked Questions
What is the IUPAC name of 4-[4-(1-aminocyclobutyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;1-[4-(2-aminoethoxy)-3-methoxyphenyl]-4-[4-ethyl-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentan-1-one;4-[4-(aminomethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[4-[2-(2-fluoroethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentan-1-one;N-[1-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]cyclobutyl]acetamide;1-[4-(2,2-difluorocyclopropyl)oxy-3-methoxyphenyl]-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one?
The IUPAC name of 4-[4-(1-aminocyclobutyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;1-[4-(2-aminoethoxy)-3-methoxyphenyl]-4-[4-ethyl-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentan-1-one;4-[4-(aminomethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[4-[2-(2-fluoroethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentan-1-one;N-[1-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]cyclobutyl]acetamide;1-[4-(2,2-difluorocyclopropyl)oxy-3-methoxyphenyl]-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one (CID 167611367) is 4-[4-(1-aminocyclobutyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;1-[4-(2-aminoethoxy)-3-methoxyphenyl]-4-[4-ethyl-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentan-1-one;4-[4-(aminomethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[4-[2-(2-fluoroethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentan-1-one;N-[1-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]cyclobutyl]acetamide;1-[4-(2,2-difluorocyclopropyl)oxy-3-methoxyphenyl]-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one.
What is the SMILES notation for 4-[4-(1-aminocyclobutyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;1-[4-(2-aminoethoxy)-3-methoxyphenyl]-4-[4-ethyl-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentan-1-one;4-[4-(aminomethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[4-[2-(2-fluoroethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentan-1-one;N-[1-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]cyclobutyl]acetamide;1-[4-(2,2-difluorocyclopropyl)oxy-3-methoxyphenyl]-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one?
The canonical SMILES for 4-[4-(1-aminocyclobutyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;1-[4-(2-aminoethoxy)-3-methoxyphenyl]-4-[4-ethyl-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentan-1-one;4-[4-(aminomethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[4-[2-(2-fluoroethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentan-1-one;N-[1-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]cyclobutyl]acetamide;1-[4-(2,2-difluorocyclopropyl)oxy-3-methoxyphenyl]-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one is CCc1cc(-c2ccc(F)c(C)c2)nc(C(C)(O)CCC(=O)c2ccc(OCCN)c(OC)c2)c1.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)NCCF)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(C3(N)CCC3)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(C3(NC(C)=O)CCC3)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(CN)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OCC(C)O.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CC1(F)F.
What is the InChIKey of 4-[4-(1-aminocyclobutyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;1-[4-(2-aminoethoxy)-3-methoxyphenyl]-4-[4-ethyl-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentan-1-one;4-[4-(aminomethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[4-[2-(2-fluoroethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentan-1-one;N-[1-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]cyclobutyl]acetamide;1-[4-(2,2-difluorocyclopropyl)oxy-3-methoxyphenyl]-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one?
The InChIKey is LCHJSTYLXZUURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34F4N2O5.C32H35F5N2O4.C31H32F4N2O4.C28H25F6NO5.C28H30F4N2O5.C28H33FN2O4/c1-19-15-21(5-9-25(19)34)26-17-23(31(12-4-13-31)39-20(2)40)18-30(38-26)32(42,33(35,36)37)14-11-27(41)22-6-10-28(29(16-22)43-3)44-24-7-8-24;1-19-15-20(5-9-24(19)34)25-17-22(30(2,3)38-14-13-33)18-29(39-25)31(41,32(35,36)37)12-11-26(40)21-6-10-27(28(16-21)42-4)43-23-7-8-23;1-18-14-19(4-8-23(18)32)24-16-21(29(36)11-3-12-29)17-28(37-24)30(39,31(33,34)35)13-10-25(38)20-5-9-26(27(15-20)40-2)41-22-6-7-22;1-15-12-17(4-6-18(15)29)25-21(38-2)8-9-23(35-25)26(37,28(32,33)34)11-10-19(36)16-5-7-20(22(13-16)39-3)40-24-14-27(24,30)31;1-16-10-19(4-6-21(16)29)22-11-18(14-33)12-26(34-22)27(37,28(30,31)32)9-8-23(36)20-5-7-24(25(13-20)38-3)39-15-17(2)35;1-5-19-15-23(20-6-8-22(29)18(2)14-20)31-27(16-19)28(3,33)11-10-24(32)21-7-9-25(35-13-12-30)26(17-21)34-4/h5-6,9-10,15-18,24,42H,4,7-8,11-14H2,1-3H3,(H,39,40);5-6,9-10,15-18,23,38,41H,7-8,11-14H2,1-4H3;4-5,8-9,14-17,22,39H,3,6-7,10-13,36H2,1-2H3;4-9,12-13,24,37H,10-11,14H2,1-3H3;4-7,10-13,17,35,37H,8-9,14-15,33H2,1-3H3;6-9,14-17,33H,5,10-13,30H2,1-4H3.
What are the key properties of 4-[4-(1-aminocyclobutyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;1-[4-(2-aminoethoxy)-3-methoxyphenyl]-4-[4-ethyl-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentan-1-one;4-[4-(aminomethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[4-[2-(2-fluoroethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentan-1-one;N-[1-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]cyclobutyl]acetamide;1-[4-(2,2-difluorocyclopropyl)oxy-3-methoxyphenyl]-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one?
4-[4-(1-aminocyclobutyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;1-[4-(2-aminoethoxy)-3-methoxyphenyl]-4-[4-ethyl-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentan-1-one;4-[4-(aminomethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[4-[2-(2-fluoroethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentan-1-one;N-[1-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]cyclobutyl]acetamide;1-[4-(2,2-difluorocyclopropyl)oxy-3-methoxyphenyl]-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one has a molecular weight of 3394.49 g/mol, XLogP of 36.35, 66 rotatable bonds, 12 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-aminocyclobutyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;1-[4-(2-aminoethoxy)-3-methoxyphenyl]-4-[4-ethyl-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentan-1-one;4-[4-(aminomethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[4-[2-(2-fluoroethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentan-1-one;N-[1-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]cyclobutyl]acetamide;1-[4-(2,2-difluorocyclopropyl)oxy-3-methoxyphenyl]-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one is sourced from PubChem (CID 167611367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).