2-[4-[4-[4-(2-acetamidopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;2-[4-[4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[3-methoxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]pentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(1H-imidazol-5-yl)pentan-1-one;ethyl 2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetate

C173H187F23N20O28 — CID 159575718

IUPAC2-[4-[4-[4-(2-acetamidopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;2-[4-[4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[3-methoxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]pentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(1H-imidazol-5-yl)pentan-1-one;ethyl 2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetate
SMILESCCOC(=O)COc1ccc(C(=O)CCC(O)(c2cc(C(C)(C)N)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)cc1OC.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)N)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OCc1nn[nH]n1.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)NC(C)=O)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OCC(N)=O.COc1cc(C(=O)CCC(O)(c2cc(C(C)(N)CF)cc(-c3ccc(C)cc3)n2)C(F)(F)F)ccc1OCC(N)=O.COc1cc(C(=O)CCC(O)(c2cc(C(C)(N)CF)cc(-c3ccc(C)cc3)n2)C(F)(F)F)ccc1OC[C@H](C)O.Cc1ccc(-c2cc(C(C)(C)N)cc(C(O)(CCC(=O)c3cnc[nH]3)C(F)(F)F)n2)cc1
InChIInChI=1S/C31H33F4N3O6.C31H34F4N2O6.C30H34F4N2O5.C29H30F4N6O4.C29H31F4N3O5.C23H25F3N4O2/c1-17-12-19(6-8-22(17)32)23-14-21(29(3,4)38-18(2)39)15-27(37-23)30(42,31(33,34)35)11-10-24(40)20-7-9-25(26(13-20)43-5)44-16-28(36)41;1-6-42-28(39)17-43-25-10-8-20(14-26(25)41-5)24(38)11-12-30(40,31(33,34)35)27-16-21(29(3,4)36)15-23(37-27)19-7-9-22(32)18(2)13-19;1-18-5-7-20(8-6-18)23-14-22(28(3,35)17-31)15-27(36-23)29(39,30(32,33)34)12-11-24(38)21-9-10-25(26(13-21)40-4)41-16-19(2)37;1-16-11-17(5-7-20(16)30)21-13-19(27(2,3)34)14-25(35-21)28(41,29(31,32)33)10-9-22(40)18-6-8-23(24(12-18)42-4)43-15-26-36-38-39-37-26;1-17-4-6-18(7-5-17)21-13-20(27(2,35)16-30)14-25(36-21)28(39,29(31,32)33)11-10-22(37)19-8-9-23(24(12-19)40-3)41-15-26(34)38;1-14-4-6-15(7-5-14)17-10-16(21(2,3)27)11-20(30-17)22(32,23(24,25)26)9-8-19(31)18-12-28-13-29-18/h6-9,12-15,42H,10-11,16H2,1-5H3,(H2,36,41)(H,38,39);7-10,13-16,40H,6,11-12,17,36H2,1-5H3;5-10,13-15,19,37,39H,11-12,16-17,35H2,1-4H3;5-8,11-14,41H,9-10,15,34H2,1-4H3,(H,36,37,38,39);4-9,12-14,39H,10-11,15-16,35H2,1-3H3,(H2,34,38);4-7,10-13,32H,8-9,27H2,1-3H3,(H,28,29)/t;;19-,28?,29?;;;/m..0.../s1
InChIKeyMIJLJUQENJKSPD-GLDBBUNESA-N
MW3431.46 g/mol
LogP29.76
Rot. Bonds66

About 2-[4-[4-[4-(2-acetamidopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;2-[4-[4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[3-methoxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]pentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(1H-imidazol-5-yl)pentan-1-one;ethyl 2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetate

2-[4-[4-[4-(2-acetamidopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;2-[4-[4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[3-methoxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]pentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(1H-imidazol-5-yl)pentan-1-one;ethyl 2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetate (PubChem CID 159575718) has the molecular formula C173H187F23N20O28 and a molecular weight of 3431.46 g/mol. Its IUPAC name is 2-[4-[4-[4-(2-acetamidopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;2-[4-[4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[3-methoxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]pentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(1H-imidazol-5-yl)pentan-1-one;ethyl 2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetate.

Molecular Properties

Compound Name2-[4-[4-[4-(2-acetamidopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;2-[4-[4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[3-methoxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]pentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(1H-imidazol-5-yl)pentan-1-one;ethyl 2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetate
PubChem CID159575718
Molecular FormulaC173H187F23N20O28
Molecular Weight3431.46 g/mol
Exact Mass3429.35
IUPAC Name2-[4-[4-[4-(2-acetamidopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;2-[4-[4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[3-methoxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]pentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(1H-imidazol-5-yl)pentan-1-one;ethyl 2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetate
SMILESCCOC(=O)COc1ccc(C(=O)CCC(O)(c2cc(C(C)(C)N)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)cc1OC.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)N)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OCc1nn[nH]n1.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)NC(C)=O)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OCC(N)=O.COc1cc(C(=O)CCC(O)(c2cc(C(C)(N)CF)cc(-c3ccc(C)cc3)n2)C(F)(F)F)ccc1OCC(N)=O.COc1cc(C(=O)CCC(O)(c2cc(C(C)(N)CF)cc(-c3ccc(C)cc3)n2)C(F)(F)F)ccc1OC[C@H](C)O.Cc1ccc(-c2cc(C(C)(C)N)cc(C(O)(CCC(=O)c3cnc[nH]3)C(F)(F)F)n2)cc1
InChIInChI=1S/C31H33F4N3O6.C31H34F4N2O6.C30H34F4N2O5.C29H30F4N6O4.C29H31F4N3O5.C23H25F3N4O2/c1-17-12-19(6-8-22(17)32)23-14-21(29(3,4)38-18(2)39)15-27(37-23)30(42,31(33,34)35)11-10-24(40)20-7-9-25(26(13-20)43-5)44-16-28(36)41;1-6-42-28(39)17-43-25-10-8-20(14-26(25)41-5)24(38)11-12-30(40,31(33,34)35)27-16-21(29(3,4)36)15-23(37-27)19-7-9-22(32)18(2)13-19;1-18-5-7-20(8-6-18)23-14-22(28(3,35)17-31)15-27(36-23)29(39,30(32,33)34)12-11-24(38)21-9-10-25(26(13-21)40-4)41-16-19(2)37;1-16-11-17(5-7-20(16)30)21-13-19(27(2,3)34)14-25(35-21)28(41,29(31,32)33)10-9-22(40)18-6-8-23(24(12-18)42-4)43-15-26-36-38-39-37-26;1-17-4-6-18(7-5-17)21-13-20(27(2,35)16-30)14-25(36-21)28(39,29(31,32)33)11-10-22(37)19-8-9-23(24(12-19)40-3)41-15-26(34)38;1-14-4-6-15(7-5-14)17-10-16(21(2,3)27)11-20(30-17)22(32,23(24,25)26)9-8-19(31)18-12-28-13-29-18/h6-9,12-15,42H,10-11,16H2,1-5H3,(H2,36,41)(H,38,39);7-10,13-16,40H,6,11-12,17,36H2,1-5H3;5-10,13-15,19,37,39H,11-12,16-17,35H2,1-4H3;5-8,11-14,41H,9-10,15,34H2,1-4H3,(H,36,37,38,39);4-9,12-14,39H,10-11,15-16,35H2,1-3H3,(H2,34,38);4-7,10-13,32H,8-9,27H2,1-3H3,(H,28,29)/t;;19-,28?,29?;;;/m..0.../s1
InChIKeyMIJLJUQENJKSPD-GLDBBUNESA-N
XLogP29.76
TPSA768.49 Ų
H-Bond Donors17
H-Bond Acceptors43
Rotatable Bonds66
Heavy Atoms244
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003431.46
LogP ≤ 529.76
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1043

Analyze 2-[4-[4-[4-(2-acetamidopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;2-[4-[4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[3-methoxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]pentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(1H-imidazol-5-yl)pentan-1-one;ethyl 2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetate with MolForge

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Related Compounds

4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(2-methyl-1H-imidazol-5-yl)pentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(2-methyl-1,3-oxazol-4-yl)pentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(2-methyl-1,3-oxazol-5-yl)pentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(1,3-oxazol-4-yl)pentan-1-one;5-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-3H-1,3-benzoxazol-2-one;N-[2-[2-(4-methylphenyl)-6-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]acetamide
CID 159801537
2-[4-[4-[4-(2-acetamidopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(2-methyl-1H-imidazol-5-yl)pentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(2-methyl-1,3-oxazol-4-yl)pentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(2-methyl-1,3-oxazol-5-yl)pentan-1-one;5-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-3H-1,3-benzoxazol-2-one;N-[2-[2-(4-methylphenyl)-6-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]acetamide
CID 167609197
4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;2-[4-[4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[3-methoxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]pentan-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]-N-methylsulfonylacetamide;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(1H-imidazol-5-yl)pentan-1-one;ethyl 2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetate
CID 167645761
4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-(1-methyltriazol-4-yl)butan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-(2-methyltriazol-4-yl)butan-1-one;N-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentyl]acetamide;1-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentyl]piperazin-2-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-(3H-pyrazol-5-yl)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-(1,2,4-triazol-1-yl)pentan-1-one
CID 158982150
4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-imidazol-1-ylpentan-1-one;N-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentyl]acetamide;1-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentyl]piperazin-2-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-(triazol-1-yl)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-(1,2,4-triazol-1-yl)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-(triazol-2-yl)pentan-1-one
CID 167533223

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4-(2-acetamidopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;2-[4-[4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[3-methoxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]pentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(1H-imidazol-5-yl)pentan-1-one;ethyl 2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetate?
The IUPAC name of 2-[4-[4-[4-(2-acetamidopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;2-[4-[4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[3-methoxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]pentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(1H-imidazol-5-yl)pentan-1-one;ethyl 2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetate (CID 159575718) is 2-[4-[4-[4-(2-acetamidopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;2-[4-[4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[3-methoxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]pentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(1H-imidazol-5-yl)pentan-1-one;ethyl 2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetate.
What is the SMILES notation for 2-[4-[4-[4-(2-acetamidopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;2-[4-[4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[3-methoxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]pentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(1H-imidazol-5-yl)pentan-1-one;ethyl 2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetate?
The canonical SMILES for 2-[4-[4-[4-(2-acetamidopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;2-[4-[4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[3-methoxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]pentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(1H-imidazol-5-yl)pentan-1-one;ethyl 2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetate is CCOC(=O)COc1ccc(C(=O)CCC(O)(c2cc(C(C)(C)N)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)cc1OC.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)N)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OCc1nn[nH]n1.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)NC(C)=O)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OCC(N)=O.COc1cc(C(=O)CCC(O)(c2cc(C(C)(N)CF)cc(-c3ccc(C)cc3)n2)C(F)(F)F)ccc1OCC(N)=O.COc1cc(C(=O)CCC(O)(c2cc(C(C)(N)CF)cc(-c3ccc(C)cc3)n2)C(F)(F)F)ccc1OC[C@H](C)O.Cc1ccc(-c2cc(C(C)(C)N)cc(C(O)(CCC(=O)c3cnc[nH]3)C(F)(F)F)n2)cc1.
What is the InChIKey of 2-[4-[4-[4-(2-acetamidopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;2-[4-[4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[3-methoxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]pentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(1H-imidazol-5-yl)pentan-1-one;ethyl 2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetate?
The InChIKey is MIJLJUQENJKSPD-GLDBBUNESA-N. The full InChI is InChI=1S/C31H33F4N3O6.C31H34F4N2O6.C30H34F4N2O5.C29H30F4N6O4.C29H31F4N3O5.C23H25F3N4O2/c1-17-12-19(6-8-22(17)32)23-14-21(29(3,4)38-18(2)39)15-27(37-23)30(42,31(33,34)35)11-10-24(40)20-7-9-25(26(13-20)43-5)44-16-28(36)41;1-6-42-28(39)17-43-25-10-8-20(14-26(25)41-5)24(38)11-12-30(40,31(33,34)35)27-16-21(29(3,4)36)15-23(37-27)19-7-9-22(32)18(2)13-19;1-18-5-7-20(8-6-18)23-14-22(28(3,35)17-31)15-27(36-23)29(39,30(32,33)34)12-11-24(38)21-9-10-25(26(13-21)40-4)41-16-19(2)37;1-16-11-17(5-7-20(16)30)21-13-19(27(2,3)34)14-25(35-21)28(41,29(31,32)33)10-9-22(40)18-6-8-23(24(12-18)42-4)43-15-26-36-38-39-37-26;1-17-4-6-18(7-5-17)21-13-20(27(2,35)16-30)14-25(36-21)28(39,29(31,32)33)11-10-22(37)19-8-9-23(24(12-19)40-3)41-15-26(34)38;1-14-4-6-15(7-5-14)17-10-16(21(2,3)27)11-20(30-17)22(32,23(24,25)26)9-8-19(31)18-12-28-13-29-18/h6-9,12-15,42H,10-11,16H2,1-5H3,(H2,36,41)(H,38,39);7-10,13-16,40H,6,11-12,17,36H2,1-5H3;5-10,13-15,19,37,39H,11-12,16-17,35H2,1-4H3;5-8,11-14,41H,9-10,15,34H2,1-4H3,(H,36,37,38,39);4-9,12-14,39H,10-11,15-16,35H2,1-3H3,(H2,34,38);4-7,10-13,32H,8-9,27H2,1-3H3,(H,28,29)/t;;19-,28?,29?;;;/m..0.../s1.
What are the key properties of 2-[4-[4-[4-(2-acetamidopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;2-[4-[4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[3-methoxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]pentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(1H-imidazol-5-yl)pentan-1-one;ethyl 2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetate?
2-[4-[4-[4-(2-acetamidopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;2-[4-[4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[3-methoxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]pentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(1H-imidazol-5-yl)pentan-1-one;ethyl 2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetate has a molecular weight of 3431.46 g/mol, XLogP of 29.76, 66 rotatable bonds, 17 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[4-(2-acetamidopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;2-[4-[4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[3-methoxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]pentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(1H-imidazol-5-yl)pentan-1-one;ethyl 2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetate is sourced from PubChem (CID 159575718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).