2-[2-chloro-4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide;(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;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;2-[2-methoxy-4-[(4R)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide

C194H203ClF13N11O41 — CID 158950140

IUPAC2-[2-chloro-4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide;(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;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;2-[2-methoxy-4-[(4R)-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)ccc1OCC(N)=O.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C2CC2)ccc1OCCO.COc1cc(C(=O)CC[C@@](O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OCC(N)=O.COc1cc(C(=O)CC[C@@](O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C2CC2)ccc1OCCO.COc1cc(C(=O)CC[C@](O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OCC(N)=O.COc1cc(C(=O)CC[C@](O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C2CC2)ccc1OCCO.COc1ccc(C(C)(O)CCC(=O)c2ccc(OCC(N)=O)c(Cl)c2)nc1-c1ccc(F)c(C)c1
InChIInChI=1S/3C29H32FNO6.2C27H26F4N2O6.C27H29FN2O6.C26H26ClFN2O5/c3*1-18-16-20(4-8-22(18)30)28-25(35-2)10-11-27(31-28)29(34,21-6-7-21)13-12-23(33)19-5-9-24(37-15-14-32)26(17-19)36-3;2*1-15-12-17(4-6-18(15)28)25-21(37-2)8-9-23(33-25)26(36,27(29,30)31)11-10-19(34)16-5-7-20(22(13-16)38-3)39-14-24(32)35;1-16-13-18(5-7-19(16)28)26-22(34-3)9-10-24(30-26)27(2,33)12-11-20(31)17-6-8-21(23(14-17)35-4)36-15-25(29)32;1-15-12-17(4-6-19(15)28)25-22(34-3)8-9-23(30-25)26(2,33)11-10-20(31)16-5-7-21(18(27)13-16)35-14-24(29)32/h3*4-5,8-11,16-17,21,32,34H,6-7,12-15H2,1-3H3;2*4-9,12-13,36H,10-11,14H2,1-3H3,(H2,32,35);5-10,13-14,33H,11-12,15H2,1-4H3,(H2,29,32);4-9,12-13,33H,10-11,14H2,1-3H3,(H2,29,32)/t2*29-;;2*26-;;/m10.10../s1
InChIKeyJLHYLAJUWUENBT-TYSPNTOXSA-N
MW3627.22 g/mol
LogP32.06
Rot. Bonds79

About 2-[2-chloro-4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide;(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;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;2-[2-methoxy-4-[(4R)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide

2-[2-chloro-4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide;(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;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;2-[2-methoxy-4-[(4R)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide (PubChem CID 158950140) has the molecular formula C194H203ClF13N11O41 and a molecular weight of 3627.22 g/mol. Its IUPAC name is 2-[2-chloro-4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide;(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;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;2-[2-methoxy-4-[(4R)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide;(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;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;2-[2-methoxy-4-[(4R)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide
PubChem CID158950140
Molecular FormulaC194H203ClF13N11O41
Molecular Weight3627.22 g/mol
Exact Mass3624.36
IUPAC Name2-[2-chloro-4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide;(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;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;2-[2-methoxy-4-[(4R)-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)ccc1OCC(N)=O.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C2CC2)ccc1OCCO.COc1cc(C(=O)CC[C@@](O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OCC(N)=O.COc1cc(C(=O)CC[C@@](O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C2CC2)ccc1OCCO.COc1cc(C(=O)CC[C@](O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OCC(N)=O.COc1cc(C(=O)CC[C@](O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C2CC2)ccc1OCCO.COc1ccc(C(C)(O)CCC(=O)c2ccc(OCC(N)=O)c(Cl)c2)nc1-c1ccc(F)c(C)c1
InChIInChI=1S/3C29H32FNO6.2C27H26F4N2O6.C27H29FN2O6.C26H26ClFN2O5/c3*1-18-16-20(4-8-22(18)30)28-25(35-2)10-11-27(31-28)29(34,21-6-7-21)13-12-23(33)19-5-9-24(37-15-14-32)26(17-19)36-3;2*1-15-12-17(4-6-18(15)28)25-21(37-2)8-9-23(33-25)26(36,27(29,30)31)11-10-19(34)16-5-7-20(22(13-16)38-3)39-14-24(32)35;1-16-13-18(5-7-19(16)28)26-22(34-3)9-10-24(30-26)27(2,33)12-11-20(31)17-6-8-21(23(14-17)35-4)36-15-25(29)32;1-15-12-17(4-6-19(15)28)25-22(34-3)8-9-23(30-25)26(2,33)11-10-20(31)16-5-7-21(18(27)13-16)35-14-24(29)32/h3*4-5,8-11,16-17,21,32,34H,6-7,12-15H2,1-3H3;2*4-9,12-13,36H,10-11,14H2,1-3H3,(H2,32,35);5-10,13-14,33H,11-12,15H2,1-4H3,(H2,29,32);4-9,12-13,33H,10-11,14H2,1-3H3,(H2,29,32)/t2*29-;;2*26-;;/m10.10../s1
InChIKeyJLHYLAJUWUENBT-TYSPNTOXSA-N
XLogP32.06
TPSA768.98 Ų
H-Bond Donors14
H-Bond Acceptors48
Rotatable Bonds79
Heavy Atoms260
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003627.22
LogP ≤ 532.06
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1048

Analyze 2-[2-chloro-4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide;(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;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;2-[2-methoxy-4-[(4R)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide;(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;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;2-[2-methoxy-4-[(4R)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide?
The IUPAC name of 2-[2-chloro-4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide;(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;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;2-[2-methoxy-4-[(4R)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide (CID 158950140) is 2-[2-chloro-4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide;(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;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;2-[2-methoxy-4-[(4R)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-chloro-4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide;(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;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;2-[2-methoxy-4-[(4R)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-chloro-4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide;(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;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;2-[2-methoxy-4-[(4R)-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)ccc1OCC(N)=O.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C2CC2)ccc1OCCO.COc1cc(C(=O)CC[C@@](O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OCC(N)=O.COc1cc(C(=O)CC[C@@](O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C2CC2)ccc1OCCO.COc1cc(C(=O)CC[C@](O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OCC(N)=O.COc1cc(C(=O)CC[C@](O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C2CC2)ccc1OCCO.COc1ccc(C(C)(O)CCC(=O)c2ccc(OCC(N)=O)c(Cl)c2)nc1-c1ccc(F)c(C)c1.
What is the InChIKey of 2-[2-chloro-4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide;(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;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;2-[2-methoxy-4-[(4R)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide?
The InChIKey is JLHYLAJUWUENBT-TYSPNTOXSA-N. The full InChI is InChI=1S/3C29H32FNO6.2C27H26F4N2O6.C27H29FN2O6.C26H26ClFN2O5/c3*1-18-16-20(4-8-22(18)30)28-25(35-2)10-11-27(31-28)29(34,21-6-7-21)13-12-23(33)19-5-9-24(37-15-14-32)26(17-19)36-3;2*1-15-12-17(4-6-18(15)28)25-21(37-2)8-9-23(33-25)26(36,27(29,30)31)11-10-19(34)16-5-7-20(22(13-16)38-3)39-14-24(32)35;1-16-13-18(5-7-19(16)28)26-22(34-3)9-10-24(30-26)27(2,33)12-11-20(31)17-6-8-21(23(14-17)35-4)36-15-25(29)32;1-15-12-17(4-6-19(15)28)25-22(34-3)8-9-23(30-25)26(2,33)11-10-20(31)16-5-7-21(18(27)13-16)35-14-24(29)32/h3*4-5,8-11,16-17,21,32,34H,6-7,12-15H2,1-3H3;2*4-9,12-13,36H,10-11,14H2,1-3H3,(H2,32,35);5-10,13-14,33H,11-12,15H2,1-4H3,(H2,29,32);4-9,12-13,33H,10-11,14H2,1-3H3,(H2,29,32)/t2*29-;;2*26-;;/m10.10../s1.
What are the key properties of 2-[2-chloro-4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide;(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;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;2-[2-methoxy-4-[(4R)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide?
2-[2-chloro-4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide;(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;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;2-[2-methoxy-4-[(4R)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide has a molecular weight of 3627.22 g/mol, XLogP of 32.06, 79 rotatable bonds, 14 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide;(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;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;2-[2-methoxy-4-[(4R)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide is sourced from PubChem (CID 158950140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).