About 2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetic acid;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-[2-(cyclobutylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(oxetan-3-ylamino)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-piperidin-4-yl-2-pyridinyl]-4-hydroxypentan-1-one
2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetic acid;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-[2-(cyclobutylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(oxetan-3-ylamino)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-piperidin-4-yl-2-pyridinyl]-4-hydroxypentan-1-one (PubChem CID 157131388) has the molecular formula C158H174F16N10O23
and a molecular weight of 2885.14 g/mol. Its IUPAC name is 2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetic acid;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-[2-(cyclobutylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(oxetan-3-ylamino)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-piperidin-4-yl-2-pyridinyl]-4-hydroxypentan-1-one.
Frequently Asked Questions
What is the IUPAC name of 2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetic acid;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-[2-(cyclobutylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(oxetan-3-ylamino)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-piperidin-4-yl-2-pyridinyl]-4-hydroxypentan-1-one?
The IUPAC name of 2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetic acid;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-[2-(cyclobutylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(oxetan-3-ylamino)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-piperidin-4-yl-2-pyridinyl]-4-hydroxypentan-1-one (CID 157131388) is 2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetic acid;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-[2-(cyclobutylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(oxetan-3-ylamino)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-piperidin-4-yl-2-pyridinyl]-4-hydroxypentan-1-one.
What is the SMILES notation for 2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetic acid;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-[2-(cyclobutylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(oxetan-3-ylamino)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-piperidin-4-yl-2-pyridinyl]-4-hydroxypentan-1-one?
The canonical SMILES for 2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetic acid;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-[2-(cyclobutylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(oxetan-3-ylamino)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-piperidin-4-yl-2-pyridinyl]-4-hydroxypentan-1-one is COc1cc(C(=O)CCC(C)(O)c2cc(C(C)(C)N)cc(-c3ccc(C)cc3)n2)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)N)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OCC(=O)O.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)NC3CCC3)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)NC3COC3)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(C3CCNCC3)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CC1.
What is the InChIKey of 2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetic acid;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-[2-(cyclobutylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(oxetan-3-ylamino)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-piperidin-4-yl-2-pyridinyl]-4-hydroxypentan-1-one?
The InChIKey is AJCSJDHZBIHNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38F4N2O4.C33H36F4N2O5.C32H34F4N2O4.C30H36N2O4.C29H30F4N2O6/c1-20-16-21(8-12-26(20)35)27-18-23(32(2,3)40-24-6-5-7-24)19-31(39-27)33(42,34(36,37)38)15-14-28(41)22-9-13-29(30(17-22)43-4)44-25-10-11-25;1-19-13-20(5-9-25(19)34)26-15-22(31(2,3)39-23-17-43-18-23)16-30(38-26)32(41,33(35,36)37)12-11-27(40)21-6-10-28(29(14-21)42-4)44-24-7-8-24;1-19-15-21(3-7-25(19)33)26-16-23(20-10-13-37-14-11-20)18-30(38-26)31(40,32(34,35)36)12-9-27(39)22-4-8-28(29(17-22)41-2)42-24-5-6-24;1-19-6-8-20(9-7-19)24-17-22(29(2,3)31)18-28(32-24)30(4,34)15-14-25(33)21-10-13-26(27(16-21)35-5)36-23-11-12-23;1-16-11-17(5-7-20(16)30)21-13-19(27(2,3)34)14-25(35-21)28(39,29(31,32)33)10-9-22(36)18-6-8-23(24(12-18)40-4)41-15-26(37)38/h8-9,12-13,16-19,24-25,40,42H,5-7,10-11,14-15H2,1-4H3;5-6,9-10,13-16,23-24,39,41H,7-8,11-12,17-18H2,1-4H3;3-4,7-8,15-18,20,24,37,40H,5-6,9-14H2,1-2H3;6-10,13,16-18,23,34H,11-12,14-15,31H2,1-5H3;5-8,11-14,39H,9-10,15,34H2,1-4H3,(H,37,38).
What are the key properties of 2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetic acid;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-[2-(cyclobutylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(oxetan-3-ylamino)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-piperidin-4-yl-2-pyridinyl]-4-hydroxypentan-1-one?
2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetic acid;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-[2-(cyclobutylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(oxetan-3-ylamino)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-piperidin-4-yl-2-pyridinyl]-4-hydroxypentan-1-one has a molecular weight of 2885.14 g/mol, XLogP of 31.49, 55 rotatable bonds, 11 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetic acid;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-[2-(cyclobutylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(oxetan-3-ylamino)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-piperidin-4-yl-2-pyridinyl]-4-hydroxypentan-1-one is sourced from PubChem (CID 157131388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).