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

C161H173F19N18O24 — CID 167609197

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-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
SMILESCOc1cc(C(=O)CCC(O)(c2cc(C(C)(C)NC(C)=O)cc(-c3ccc(C)cc3)n2)C(F)(F)F)ccc1OCCO.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.Cc1ccc(-c2cc(C(C)(C)N)cc(C(O)(CCC(=O)c3ccc4oc(=O)[nH]c4c3)C(F)(F)F)n2)cc1.Cc1ccc(-c2cc(C(C)(C)N)cc(C(O)(CCC(=O)c3cnc(C)[nH]3)C(F)(F)F)n2)cc1.Cc1ccc(-c2cc(C(C)(C)N)cc(C(O)(CCC(=O)c3cnc(C)o3)C(F)(F)F)n2)cc1.Cc1ccc(-c2cc(C(C)(C)N)cc(C(O)(CCC(=O)c3coc(C)n3)C(F)(F)F)n2)cc1
InChIInChI=1S/C31H33F4N3O6.C31H35F3N2O6.C27H26F3N3O4.C24H27F3N4O2.2C24H26F3N3O3/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;1-19-6-8-21(9-7-19)24-17-23(29(3,4)36-20(2)38)18-28(35-24)30(40,31(32,33)34)13-12-25(39)22-10-11-26(42-15-14-37)27(16-22)41-5;1-15-4-6-16(7-5-15)19-13-18(25(2,3)31)14-23(32-19)26(36,27(28,29)30)11-10-21(34)17-8-9-22-20(12-17)33-24(35)37-22;1-14-5-7-16(8-6-14)18-11-17(22(3,4)28)12-21(31-18)23(33,24(25,26)27)10-9-20(32)19-13-29-15(2)30-19;1-14-5-7-16(8-6-14)18-11-17(22(3,4)28)12-21(30-18)23(32,24(25,26)27)10-9-20(31)19-13-33-15(2)29-19;1-14-5-7-16(8-6-14)18-11-17(22(3,4)28)12-21(30-18)23(32,24(25,26)27)10-9-19(31)20-13-29-15(2)33-20/h6-9,12-15,42H,10-11,16H2,1-5H3,(H2,36,41)(H,38,39);6-11,16-18,37,40H,12-15H2,1-5H3,(H,36,38);4-9,12-14,36H,10-11,31H2,1-3H3,(H,33,35);5-8,11-13,33H,9-10,28H2,1-4H3,(H,29,30);2*5-8,11-13,32H,9-10,28H2,1-4H3
InChIKeyKULAIQWZXJBRGU-UHFFFAOYSA-N
MW3105.22 g/mol
LogP29.79
Rot. Bonds52

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-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

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 (PubChem CID 167609197) has the molecular formula C161H173F19N18O24 and a molecular weight of 3105.22 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-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.

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-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
PubChem CID167609197
Molecular FormulaC161H173F19N18O24
Molecular Weight3105.22 g/mol
Exact Mass3103.26
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-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
SMILESCOc1cc(C(=O)CCC(O)(c2cc(C(C)(C)NC(C)=O)cc(-c3ccc(C)cc3)n2)C(F)(F)F)ccc1OCCO.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.Cc1ccc(-c2cc(C(C)(C)N)cc(C(O)(CCC(=O)c3ccc4oc(=O)[nH]c4c3)C(F)(F)F)n2)cc1.Cc1ccc(-c2cc(C(C)(C)N)cc(C(O)(CCC(=O)c3cnc(C)[nH]3)C(F)(F)F)n2)cc1.Cc1ccc(-c2cc(C(C)(C)N)cc(C(O)(CCC(=O)c3cnc(C)o3)C(F)(F)F)n2)cc1.Cc1ccc(-c2cc(C(C)(C)N)cc(C(O)(CCC(=O)c3coc(C)n3)C(F)(F)F)n2)cc1
InChIInChI=1S/C31H33F4N3O6.C31H35F3N2O6.C27H26F3N3O4.C24H27F3N4O2.2C24H26F3N3O3/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;1-19-6-8-21(9-7-19)24-17-23(29(3,4)36-20(2)38)18-28(35-24)30(40,31(32,33)34)13-12-25(39)22-10-11-26(42-15-14-37)27(16-22)41-5;1-15-4-6-16(7-5-15)19-13-18(25(2,3)31)14-23(32-19)26(36,27(28,29)30)11-10-21(34)17-8-9-22-20(12-17)33-24(35)37-22;1-14-5-7-16(8-6-14)18-11-17(22(3,4)28)12-21(31-18)23(33,24(25,26)27)10-9-20(32)19-13-29-15(2)30-19;1-14-5-7-16(8-6-14)18-11-17(22(3,4)28)12-21(30-18)23(32,24(25,26)27)10-9-20(31)19-13-33-15(2)29-19;1-14-5-7-16(8-6-14)18-11-17(22(3,4)28)12-21(30-18)23(32,24(25,26)27)10-9-19(31)20-13-29-15(2)33-20/h6-9,12-15,42H,10-11,16H2,1-5H3,(H2,36,41)(H,38,39);6-11,16-18,37,40H,12-15H2,1-5H3,(H,36,38);4-9,12-14,36H,10-11,31H2,1-3H3,(H,33,35);5-8,11-13,33H,9-10,28H2,1-4H3,(H,29,30);2*5-8,11-13,32H,9-10,28H2,1-4H3
InChIKeyKULAIQWZXJBRGU-UHFFFAOYSA-N
XLogP29.79
TPSA690.40 Ų
H-Bond Donors16
H-Bond Acceptors37
Rotatable Bonds52
Heavy Atoms222
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003105.22
LogP ≤ 529.79
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1037

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-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 with MolForge

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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-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?
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-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) 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-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.
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-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?
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-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 is COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)NC(C)=O)cc(-c3ccc(C)cc3)n2)C(F)(F)F)ccc1OCCO.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.Cc1ccc(-c2cc(C(C)(C)N)cc(C(O)(CCC(=O)c3ccc4oc(=O)[nH]c4c3)C(F)(F)F)n2)cc1.Cc1ccc(-c2cc(C(C)(C)N)cc(C(O)(CCC(=O)c3cnc(C)[nH]3)C(F)(F)F)n2)cc1.Cc1ccc(-c2cc(C(C)(C)N)cc(C(O)(CCC(=O)c3cnc(C)o3)C(F)(F)F)n2)cc1.Cc1ccc(-c2cc(C(C)(C)N)cc(C(O)(CCC(=O)c3coc(C)n3)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-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?
The InChIKey is KULAIQWZXJBRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33F4N3O6.C31H35F3N2O6.C27H26F3N3O4.C24H27F3N4O2.2C24H26F3N3O3/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;1-19-6-8-21(9-7-19)24-17-23(29(3,4)36-20(2)38)18-28(35-24)30(40,31(32,33)34)13-12-25(39)22-10-11-26(42-15-14-37)27(16-22)41-5;1-15-4-6-16(7-5-15)19-13-18(25(2,3)31)14-23(32-19)26(36,27(28,29)30)11-10-21(34)17-8-9-22-20(12-17)33-24(35)37-22;1-14-5-7-16(8-6-14)18-11-17(22(3,4)28)12-21(31-18)23(33,24(25,26)27)10-9-20(32)19-13-29-15(2)30-19;1-14-5-7-16(8-6-14)18-11-17(22(3,4)28)12-21(30-18)23(32,24(25,26)27)10-9-20(31)19-13-33-15(2)29-19;1-14-5-7-16(8-6-14)18-11-17(22(3,4)28)12-21(30-18)23(32,24(25,26)27)10-9-19(31)20-13-29-15(2)33-20/h6-9,12-15,42H,10-11,16H2,1-5H3,(H2,36,41)(H,38,39);6-11,16-18,37,40H,12-15H2,1-5H3,(H,36,38);4-9,12-14,36H,10-11,31H2,1-3H3,(H,33,35);5-8,11-13,33H,9-10,28H2,1-4H3,(H,29,30);2*5-8,11-13,32H,9-10,28H2,1-4H3.
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-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?
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 has a molecular weight of 3105.22 g/mol, XLogP of 29.79, 52 rotatable bonds, 16 hydrogen bond donors, and 37 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-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 is sourced from PubChem (CID 167609197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).