1-[4-(2-aminoethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;2-[2-bromo-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetic acid;2-[4-[4-[3-fluoro-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-propan-2-yloxyphenyl)pentan-1-one;[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]methanesulfonyl fluoride;2-[2-fluoro-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide

C159H161BrF15N9O33S — CID 167568267

IUPAC1-[4-(2-aminoethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;2-[2-bromo-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetic acid;2-[4-[4-[3-fluoro-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-propan-2-yloxyphenyl)pentan-1-one;[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]methanesulfonyl fluoride;2-[2-fluoro-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide
SMILESCOc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OC(C)C.COc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCN.COc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCS(=O)(=O)F.COc1cc(C(=O)CCC(C)(O)c2nc(-c3ccc(F)c(C)c3)ccc2F)ccc1OCC(N)=O.COc1ccc(C(O)(CCC(=O)c2ccc(OCC(=O)O)c(Br)c2)C(F)(F)F)nc1-c1ccc(F)c(C)c1.COc1ccc(C(O)(CCC(=O)c2ccc(OCC(N)=O)c(F)c2)C(F)(F)F)nc1-c1ccc(F)c(C)c1
InChIInChI=1S/C28H32FNO5.C27H31FN2O5.C26H22BrF4NO6.C26H23F5N2O5.C26H26F2N2O5.C26H27F2NO7S/c1-17(2)35-23-10-8-19(16-25(23)34-6)22(31)13-14-28(4,32)26-12-11-24(33-5)27(30-26)20-7-9-21(29)18(3)15-20;1-17-15-19(5-7-20(17)28)26-23(33-3)9-10-25(30-26)27(2,32)12-11-21(31)18-6-8-22(35-14-13-29)24(16-18)34-4;1-14-11-16(3-5-18(14)28)24-21(37-2)7-8-22(32-24)25(36,26(29,30)31)10-9-19(33)15-4-6-20(17(27)12-15)38-13-23(34)35;1-14-11-16(3-5-17(14)27)24-21(37-2)7-8-22(33-24)25(36,26(29,30)31)10-9-19(34)15-4-6-20(18(28)12-15)38-13-23(32)35;1-15-12-16(4-6-18(15)27)20-8-7-19(28)25(30-20)26(2,33)11-10-21(31)17-5-9-22(23(13-17)34-3)35-14-24(29)32;1-16-13-18(5-7-19(16)27)25-22(34-3)9-10-24(29-25)26(2,31)12-11-20(30)17-6-8-21(23(14-17)35-4)36-15-37(28,32)33/h7-12,15-17,32H,13-14H2,1-6H3;5-10,15-16,32H,11-14,29H2,1-4H3;3-8,11-12,36H,9-10,13H2,1-2H3,(H,34,35);3-8,11-12,36H,9-10,13H2,1-2H3,(H2,32,35);4-9,12-13,33H,10-11,14H2,1-3H3,(H2,29,32);5-10,13-14,31H,11-12,15H2,1-4H3
InChIKeyFOHROWNNSBHQKD-UHFFFAOYSA-N
MW3123.01 g/mol
LogP29.56
Rot. Bonds62

About 1-[4-(2-aminoethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;2-[2-bromo-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetic acid;2-[4-[4-[3-fluoro-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-propan-2-yloxyphenyl)pentan-1-one;[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]methanesulfonyl fluoride;2-[2-fluoro-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide

1-[4-(2-aminoethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;2-[2-bromo-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetic acid;2-[4-[4-[3-fluoro-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-propan-2-yloxyphenyl)pentan-1-one;[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]methanesulfonyl fluoride;2-[2-fluoro-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide (PubChem CID 167568267) has the molecular formula C159H161BrF15N9O33S and a molecular weight of 3123.01 g/mol. Its IUPAC name is 1-[4-(2-aminoethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;2-[2-bromo-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetic acid;2-[4-[4-[3-fluoro-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-propan-2-yloxyphenyl)pentan-1-one;[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]methanesulfonyl fluoride;2-[2-fluoro-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide.

Molecular Properties

Compound Name1-[4-(2-aminoethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;2-[2-bromo-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetic acid;2-[4-[4-[3-fluoro-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-propan-2-yloxyphenyl)pentan-1-one;[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]methanesulfonyl fluoride;2-[2-fluoro-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide
PubChem CID167568267
Molecular FormulaC159H161BrF15N9O33S
Molecular Weight3123.01 g/mol
Exact Mass3119.99
IUPAC Name1-[4-(2-aminoethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;2-[2-bromo-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetic acid;2-[4-[4-[3-fluoro-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-propan-2-yloxyphenyl)pentan-1-one;[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]methanesulfonyl fluoride;2-[2-fluoro-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide
SMILESCOc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OC(C)C.COc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCN.COc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCS(=O)(=O)F.COc1cc(C(=O)CCC(C)(O)c2nc(-c3ccc(F)c(C)c3)ccc2F)ccc1OCC(N)=O.COc1ccc(C(O)(CCC(=O)c2ccc(OCC(=O)O)c(Br)c2)C(F)(F)F)nc1-c1ccc(F)c(C)c1.COc1ccc(C(O)(CCC(=O)c2ccc(OCC(N)=O)c(F)c2)C(F)(F)F)nc1-c1ccc(F)c(C)c1
InChIInChI=1S/C28H32FNO5.C27H31FN2O5.C26H22BrF4NO6.C26H23F5N2O5.C26H26F2N2O5.C26H27F2NO7S/c1-17(2)35-23-10-8-19(16-25(23)34-6)22(31)13-14-28(4,32)26-12-11-24(33-5)27(30-26)20-7-9-21(29)18(3)15-20;1-17-15-19(5-7-20(17)28)26-23(33-3)9-10-25(30-26)27(2,32)12-11-21(31)18-6-8-22(35-14-13-29)24(16-18)34-4;1-14-11-16(3-5-18(14)28)24-21(37-2)7-8-22(32-24)25(36,26(29,30)31)10-9-19(33)15-4-6-20(17(27)12-15)38-13-23(34)35;1-14-11-16(3-5-17(14)27)24-21(37-2)7-8-22(33-24)25(36,26(29,30)31)10-9-19(34)15-4-6-20(18(28)12-15)38-13-23(32)35;1-15-12-16(4-6-18(15)27)20-8-7-19(28)25(30-20)26(2,33)11-10-21(31)17-5-9-22(23(13-17)34-3)35-14-24(29)32;1-16-13-18(5-7-19(16)27)25-22(34-3)9-10-24(29-25)26(2,31)12-11-20(30)17-6-8-21(23(14-17)35-4)36-15-37(28,32)33/h7-12,15-17,32H,13-14H2,1-6H3;5-10,15-16,32H,11-14,29H2,1-4H3;3-8,11-12,36H,9-10,13H2,1-2H3,(H,34,35);3-8,11-12,36H,9-10,13H2,1-2H3,(H2,32,35);4-9,12-13,33H,10-11,14H2,1-3H3,(H2,29,32);5-10,13-14,31H,11-12,15H2,1-4H3
InChIKeyFOHROWNNSBHQKD-UHFFFAOYSA-N
XLogP29.56
TPSA623.23 Ų
H-Bond Donors10
H-Bond Acceptors39
Rotatable Bonds62
Heavy Atoms218
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003123.01
LogP ≤ 529.56
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1039

Analyze 1-[4-(2-aminoethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;2-[2-bromo-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetic acid;2-[4-[4-[3-fluoro-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-propan-2-yloxyphenyl)pentan-1-one;[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]methanesulfonyl fluoride;2-[2-fluoro-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide with MolForge

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Launch Full Analysis

Related Compounds

3-Amino-2-(6-bromo-5-methoxy-2-pyridinyl)-1,1,1-trifluoropropan-2-ol;5-bromo-2-fluorobenzaldehyde;4-bromo-1-fluoro-2-(1-fluoroethyl)benzene;1-(5-bromo-2-fluorophenyl)ethanol;2-bromo-6-iodo-3-methoxypyridine;1-(6-bromo-5-methoxy-2-pyridinyl)ethanone;bis(2-[4-[4-(6-bromo-5-methoxy-2-pyridinyl)-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide);2-(6-bromo-5-methoxy-2-pyridinyl)-1,1,1-trifluoro-3-nitropropan-2-ol;2-[4-fluoro-3-(1-fluoroethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;bis(2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-(1-fluoroethyl)phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide)
CID 157957545
5-Amino-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;1-[4-(2-aminoethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;2-[2-bromo-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetic acid;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-5-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxypentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[3-methoxy-4-(methylsulfonylmethoxy)phenyl]pentan-1-one;2-[2-fluoro-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide
CID 159025533
2-[4-[4-(6-Bromo-5-methoxy-2-pyridinyl)-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;tetrakis(2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-(1-fluoroethyl)phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide)
CID 159216773
2-[4-[4-[4-(2-acetamidopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;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;(4R)-4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;N-[2-[2-(4-fluoro-3-methylphenyl)-6-[1,1,1-trifluoro-2-hydroxy-5-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]acetamide;methyl 2-amino-2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-methylphenyl)-4-pyridinyl]propanoate;5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[5-methoxy-6-(4-methylphenyl)-2-pyridinyl]pentan-1-one
CID 160658315
3-Amino-2-(6-bromo-5-methoxy-2-pyridinyl)-1,1,1-trifluoropropan-2-ol;5-bromo-2-fluorobenzaldehyde;4-bromo-1-fluoro-2-(1-fluoroethyl)benzene;1-(5-bromo-2-fluorophenyl)ethanol;2-bromo-6-iodo-3-methoxypyridine;1-(6-bromo-5-methoxy-2-pyridinyl)ethanone;2-[4-[4-(6-bromo-5-methoxy-2-pyridinyl)-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-(6-bromo-5-methoxy-2-pyridinyl)-1,1,1-trifluoro-3-nitropropan-2-ol;2-[4-fluoro-3-(1-fluoroethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 160875462
3-Amino-2-(6-bromo-5-methoxy-2-pyridinyl)-1,1,1-trifluoropropan-2-ol;5-bromo-2-fluorobenzaldehyde;4-bromo-1-fluoro-2-(1-fluoroethyl)benzene;1-(5-bromo-2-fluorophenyl)ethanol;2-bromo-6-iodo-3-methoxypyridine;1-(6-bromo-5-methoxy-2-pyridinyl)ethanone;bis(2-[4-[4-(6-bromo-5-methoxy-2-pyridinyl)-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide);2-(6-bromo-5-methoxy-2-pyridinyl)-1,1,1-trifluoro-3-nitropropan-2-ol;2-[4-fluoro-3-(1-fluoroethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 160883261
2-[2-Methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-(1-fluoroethyl)phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide
CID 161416029
(4R)-4-cyclopropyl-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;(4S)-4-cyclopropyl-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;2-[4-[(4R)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-[4-[(4S)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-[4-[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]-N-methylacetamide
CID 167614004
2-[4-[4-[4-(2-acetamidopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;(4S)-4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;(4R)-4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;N-[2-[2-(4-fluoro-3-methylphenyl)-6-[1,1,1-trifluoro-2-hydroxy-5-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]acetamide;methyl 2-amino-2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-methylphenyl)-4-pyridinyl]propanoate;5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[5-methoxy-6-(4-methylphenyl)-2-pyridinyl]pentan-1-one
CID 167662812
(4R)-4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;(4S)-4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;1-[4-(3,3-difluorocyclobutyl)oxy-3-methoxyphenyl]-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;2-[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-[2-methoxy-4-[(4S)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide
CID 167684378
4-cyclopropyl-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhept-5-yn-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhexan-1-one;(4S)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhexan-1-one;(4R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhexan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-5-methylhexan-1-one;2-[4-[4-[6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]-N-methylacetamide
CID 158840575
4-(2-Amino-2-oxoethoxy)-3-methoxybenzoic acid;2-[4-[4-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;methyl 4-hydroxy-3-methoxybenzoate;methyl 4-(isocyanomethoxy)-3-methoxybenzoate
CID 158933831

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;2-[2-bromo-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetic acid;2-[4-[4-[3-fluoro-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-propan-2-yloxyphenyl)pentan-1-one;[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]methanesulfonyl fluoride;2-[2-fluoro-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-aminoethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;2-[2-bromo-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetic acid;2-[4-[4-[3-fluoro-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-propan-2-yloxyphenyl)pentan-1-one;[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]methanesulfonyl fluoride;2-[2-fluoro-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide (CID 167568267) is 1-[4-(2-aminoethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;2-[2-bromo-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetic acid;2-[4-[4-[3-fluoro-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-propan-2-yloxyphenyl)pentan-1-one;[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]methanesulfonyl fluoride;2-[2-fluoro-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-aminoethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;2-[2-bromo-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetic acid;2-[4-[4-[3-fluoro-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-propan-2-yloxyphenyl)pentan-1-one;[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]methanesulfonyl fluoride;2-[2-fluoro-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-aminoethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;2-[2-bromo-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetic acid;2-[4-[4-[3-fluoro-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-propan-2-yloxyphenyl)pentan-1-one;[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]methanesulfonyl fluoride;2-[2-fluoro-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide is COc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OC(C)C.COc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCN.COc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCS(=O)(=O)F.COc1cc(C(=O)CCC(C)(O)c2nc(-c3ccc(F)c(C)c3)ccc2F)ccc1OCC(N)=O.COc1ccc(C(O)(CCC(=O)c2ccc(OCC(=O)O)c(Br)c2)C(F)(F)F)nc1-c1ccc(F)c(C)c1.COc1ccc(C(O)(CCC(=O)c2ccc(OCC(N)=O)c(F)c2)C(F)(F)F)nc1-c1ccc(F)c(C)c1.
What is the InChIKey of 1-[4-(2-aminoethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;2-[2-bromo-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetic acid;2-[4-[4-[3-fluoro-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-propan-2-yloxyphenyl)pentan-1-one;[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]methanesulfonyl fluoride;2-[2-fluoro-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide?
The InChIKey is FOHROWNNSBHQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FNO5.C27H31FN2O5.C26H22BrF4NO6.C26H23F5N2O5.C26H26F2N2O5.C26H27F2NO7S/c1-17(2)35-23-10-8-19(16-25(23)34-6)22(31)13-14-28(4,32)26-12-11-24(33-5)27(30-26)20-7-9-21(29)18(3)15-20;1-17-15-19(5-7-20(17)28)26-23(33-3)9-10-25(30-26)27(2,32)12-11-21(31)18-6-8-22(35-14-13-29)24(16-18)34-4;1-14-11-16(3-5-18(14)28)24-21(37-2)7-8-22(32-24)25(36,26(29,30)31)10-9-19(33)15-4-6-20(17(27)12-15)38-13-23(34)35;1-14-11-16(3-5-17(14)27)24-21(37-2)7-8-22(33-24)25(36,26(29,30)31)10-9-19(34)15-4-6-20(18(28)12-15)38-13-23(32)35;1-15-12-16(4-6-18(15)27)20-8-7-19(28)25(30-20)26(2,33)11-10-21(31)17-5-9-22(23(13-17)34-3)35-14-24(29)32;1-16-13-18(5-7-19(16)27)25-22(34-3)9-10-24(29-25)26(2,31)12-11-20(30)17-6-8-21(23(14-17)35-4)36-15-37(28,32)33/h7-12,15-17,32H,13-14H2,1-6H3;5-10,15-16,32H,11-14,29H2,1-4H3;3-8,11-12,36H,9-10,13H2,1-2H3,(H,34,35);3-8,11-12,36H,9-10,13H2,1-2H3,(H2,32,35);4-9,12-13,33H,10-11,14H2,1-3H3,(H2,29,32);5-10,13-14,31H,11-12,15H2,1-4H3.
What are the key properties of 1-[4-(2-aminoethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;2-[2-bromo-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetic acid;2-[4-[4-[3-fluoro-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-propan-2-yloxyphenyl)pentan-1-one;[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]methanesulfonyl fluoride;2-[2-fluoro-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide?
1-[4-(2-aminoethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;2-[2-bromo-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetic acid;2-[4-[4-[3-fluoro-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-propan-2-yloxyphenyl)pentan-1-one;[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]methanesulfonyl fluoride;2-[2-fluoro-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide has a molecular weight of 3123.01 g/mol, XLogP of 29.56, 62 rotatable bonds, 10 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminoethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;2-[2-bromo-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetic acid;2-[4-[4-[3-fluoro-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-propan-2-yloxyphenyl)pentan-1-one;[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]methanesulfonyl fluoride;2-[2-fluoro-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide is sourced from PubChem (CID 167568267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).