1-[4-[4-[6-(3-chloro-4-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenyl]pyrrolidin-2-one;4-[6-(3-chloro-4-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-3-ylphenyl)butan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-(methylamino)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(4-methoxyphenyl)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pentan-1-one

C164H171Cl2F4N11O30 — CID 167678601

IUPAC1-[4-[4-[6-(3-chloro-4-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenyl]pyrrolidin-2-one;4-[6-(3-chloro-4-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-3-ylphenyl)butan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-(methylamino)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(4-methoxyphenyl)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pentan-1-one
SMILESCNCC(O)(CCC(=O)c1ccc(OCCO)c(OC)c1)c1ccc(OC)c(-c2ccc(F)c(C)c2)n1.COc1cc(C(=O)CCC(O)(CO)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO.COc1cc(C(=O)CCC(O)c2ccc(OC)c(-c3ccc(C)c(Cl)c3)n2)ccc1-c1cccnc1.COc1cc(C(=O)CCC(O)c2ccc(OC)c(-c3ccc(C)c(Cl)c3)n2)ccc1N1CCCC1=O.COc1ccc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)cc1.COc1ccc(C(C)(O)CCC(=O)c2ccc(-c3nc(C)no3)cc2)nc1-c1ccc(F)c(C)c1
InChIInChI=1S/C29H27ClN2O4.C28H29ClN2O5.C28H33FN2O6.C27H26FN3O4.C27H30FNO7.C25H26FNO4/c1-18-6-7-20(15-23(18)30)29-27(35-2)13-10-24(32-29)26(34)12-11-25(33)19-8-9-22(28(16-19)36-3)21-5-4-14-31-17-21;1-17-6-7-19(15-20(17)29)28-25(35-2)13-9-21(30-28)24(33)12-11-23(32)18-8-10-22(26(16-18)36-3)31-14-4-5-27(31)34;1-18-15-20(5-7-21(18)29)27-24(35-3)9-10-26(31-27)28(34,17-30-2)12-11-22(33)19-6-8-23(37-14-13-32)25(16-19)36-4;1-16-15-20(9-10-21(16)28)25-23(34-4)11-12-24(30-25)27(3,33)14-13-22(32)18-5-7-19(8-6-18)26-29-17(2)31-35-26;1-17-14-19(4-6-20(17)28)26-23(34-2)8-9-25(29-26)27(33,16-31)11-10-21(32)18-5-7-22(36-13-12-30)24(15-18)35-3;1-16-15-18(7-10-20(16)26)24-22(31-4)11-12-23(27-24)25(2,29)14-13-21(28)17-5-8-19(30-3)9-6-17/h4-10,13-17,26,34H,11-12H2,1-3H3;6-10,13,15-16,24,33H,4-5,11-12,14H2,1-3H3;5-10,15-16,30,32,34H,11-14,17H2,1-4H3;5-12,15,33H,13-14H2,1-4H3;4-9,14-15,30-31,33H,10-13,16H2,1-3H3;5-12,15,29H,13-14H2,1-4H3
InChIKeyVEMLJPSZDHKQBE-UHFFFAOYSA-N
MW2923.12 g/mol
LogP29.64
Rot. Bonds59

About 1-[4-[4-[6-(3-chloro-4-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenyl]pyrrolidin-2-one;4-[6-(3-chloro-4-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-3-ylphenyl)butan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-(methylamino)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(4-methoxyphenyl)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pentan-1-one

1-[4-[4-[6-(3-chloro-4-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenyl]pyrrolidin-2-one;4-[6-(3-chloro-4-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-3-ylphenyl)butan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-(methylamino)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(4-methoxyphenyl)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pentan-1-one (PubChem CID 167678601) has the molecular formula C164H171Cl2F4N11O30 and a molecular weight of 2923.12 g/mol. Its IUPAC name is 1-[4-[4-[6-(3-chloro-4-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenyl]pyrrolidin-2-one;4-[6-(3-chloro-4-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-3-ylphenyl)butan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-(methylamino)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(4-methoxyphenyl)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pentan-1-one.

Molecular Properties

Compound Name1-[4-[4-[6-(3-chloro-4-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenyl]pyrrolidin-2-one;4-[6-(3-chloro-4-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-3-ylphenyl)butan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-(methylamino)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(4-methoxyphenyl)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pentan-1-one
PubChem CID167678601
Molecular FormulaC164H171Cl2F4N11O30
Molecular Weight2923.12 g/mol
Exact Mass2920.15
IUPAC Name1-[4-[4-[6-(3-chloro-4-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenyl]pyrrolidin-2-one;4-[6-(3-chloro-4-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-3-ylphenyl)butan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-(methylamino)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(4-methoxyphenyl)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pentan-1-one
SMILESCNCC(O)(CCC(=O)c1ccc(OCCO)c(OC)c1)c1ccc(OC)c(-c2ccc(F)c(C)c2)n1.COc1cc(C(=O)CCC(O)(CO)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO.COc1cc(C(=O)CCC(O)c2ccc(OC)c(-c3ccc(C)c(Cl)c3)n2)ccc1-c1cccnc1.COc1cc(C(=O)CCC(O)c2ccc(OC)c(-c3ccc(C)c(Cl)c3)n2)ccc1N1CCCC1=O.COc1ccc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)cc1.COc1ccc(C(C)(O)CCC(=O)c2ccc(-c3nc(C)no3)cc2)nc1-c1ccc(F)c(C)c1
InChIInChI=1S/C29H27ClN2O4.C28H29ClN2O5.C28H33FN2O6.C27H26FN3O4.C27H30FNO7.C25H26FNO4/c1-18-6-7-20(15-23(18)30)29-27(35-2)13-10-24(32-29)26(34)12-11-25(33)19-8-9-22(28(16-19)36-3)21-5-4-14-31-17-21;1-17-6-7-19(15-20(17)29)28-25(35-2)13-9-21(30-28)24(33)12-11-23(32)18-8-10-22(26(16-18)36-3)31-14-4-5-27(31)34;1-18-15-20(5-7-21(18)29)27-24(35-3)9-10-26(31-27)28(34,17-30-2)12-11-22(33)19-6-8-23(37-14-13-32)25(16-19)36-4;1-16-15-20(9-10-21(16)28)25-23(34-4)11-12-24(30-25)27(3,33)14-13-22(32)18-5-7-19(8-6-18)26-29-17(2)31-35-26;1-17-14-19(4-6-20(17)28)26-23(34-2)8-9-25(29-26)27(33,16-31)11-10-21(32)18-5-7-22(36-13-12-30)24(15-18)35-3;1-16-15-18(7-10-20(16)26)24-22(31-4)11-12-23(27-24)25(2,29)14-13-21(28)17-5-8-19(30-3)9-6-17/h4-10,13-17,26,34H,11-12H2,1-3H3;6-10,13,15-16,24,33H,4-5,11-12,14H2,1-3H3;5-10,15-16,30,32,34H,11-14,17H2,1-4H3;5-12,15,33H,13-14H2,1-4H3;4-9,14-15,30-31,33H,10-13,16H2,1-3H3;5-12,15,29H,13-14H2,1-4H3
InChIKeyVEMLJPSZDHKQBE-UHFFFAOYSA-N
XLogP29.64
TPSA565.97 Ų
H-Bond Donors10
H-Bond Acceptors40
Rotatable Bonds59
Heavy Atoms211
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002923.12
LogP ≤ 529.64
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1040

Analyze 1-[4-[4-[6-(3-chloro-4-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenyl]pyrrolidin-2-one;4-[6-(3-chloro-4-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-3-ylphenyl)butan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-(methylamino)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(4-methoxyphenyl)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pentan-1-one with MolForge

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Launch Full Analysis

Related Compounds

5-Amino-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;5-(dimethylamino)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;5-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-5-[3-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-3-oxopropyl]-1,3-oxazolidin-2-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-(methylamino)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(4-methoxyphenyl)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pentan-1-one
CID 159389382
4-[4-(3-Chloro-4-methylphenyl)-1,5-dimethylimidazol-2-yl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-(3-chloro-4-methylphenyl)-1,5-dimethylimidazol-2-yl]-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-hydroxypentan-1-one;1-(3,4-dimethoxyphenyl)-4-methoxy-4-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-3-ylphenyl)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-4-ylphenyl)pentan-1-one;1-[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenyl]pyrrolidin-2-one
CID 161174460

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[6-(3-chloro-4-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenyl]pyrrolidin-2-one;4-[6-(3-chloro-4-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-3-ylphenyl)butan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-(methylamino)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(4-methoxyphenyl)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pentan-1-one?
The IUPAC name of 1-[4-[4-[6-(3-chloro-4-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenyl]pyrrolidin-2-one;4-[6-(3-chloro-4-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-3-ylphenyl)butan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-(methylamino)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(4-methoxyphenyl)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pentan-1-one (CID 167678601) is 1-[4-[4-[6-(3-chloro-4-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenyl]pyrrolidin-2-one;4-[6-(3-chloro-4-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-3-ylphenyl)butan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-(methylamino)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(4-methoxyphenyl)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pentan-1-one.
What is the SMILES notation for 1-[4-[4-[6-(3-chloro-4-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenyl]pyrrolidin-2-one;4-[6-(3-chloro-4-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-3-ylphenyl)butan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-(methylamino)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(4-methoxyphenyl)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pentan-1-one?
The canonical SMILES for 1-[4-[4-[6-(3-chloro-4-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenyl]pyrrolidin-2-one;4-[6-(3-chloro-4-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-3-ylphenyl)butan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-(methylamino)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(4-methoxyphenyl)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pentan-1-one is CNCC(O)(CCC(=O)c1ccc(OCCO)c(OC)c1)c1ccc(OC)c(-c2ccc(F)c(C)c2)n1.COc1cc(C(=O)CCC(O)(CO)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO.COc1cc(C(=O)CCC(O)c2ccc(OC)c(-c3ccc(C)c(Cl)c3)n2)ccc1-c1cccnc1.COc1cc(C(=O)CCC(O)c2ccc(OC)c(-c3ccc(C)c(Cl)c3)n2)ccc1N1CCCC1=O.COc1ccc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)cc1.COc1ccc(C(C)(O)CCC(=O)c2ccc(-c3nc(C)no3)cc2)nc1-c1ccc(F)c(C)c1.
What is the InChIKey of 1-[4-[4-[6-(3-chloro-4-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenyl]pyrrolidin-2-one;4-[6-(3-chloro-4-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-3-ylphenyl)butan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-(methylamino)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(4-methoxyphenyl)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pentan-1-one?
The InChIKey is VEMLJPSZDHKQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27ClN2O4.C28H29ClN2O5.C28H33FN2O6.C27H26FN3O4.C27H30FNO7.C25H26FNO4/c1-18-6-7-20(15-23(18)30)29-27(35-2)13-10-24(32-29)26(34)12-11-25(33)19-8-9-22(28(16-19)36-3)21-5-4-14-31-17-21;1-17-6-7-19(15-20(17)29)28-25(35-2)13-9-21(30-28)24(33)12-11-23(32)18-8-10-22(26(16-18)36-3)31-14-4-5-27(31)34;1-18-15-20(5-7-21(18)29)27-24(35-3)9-10-26(31-27)28(34,17-30-2)12-11-22(33)19-6-8-23(37-14-13-32)25(16-19)36-4;1-16-15-20(9-10-21(16)28)25-23(34-4)11-12-24(30-25)27(3,33)14-13-22(32)18-5-7-19(8-6-18)26-29-17(2)31-35-26;1-17-14-19(4-6-20(17)28)26-23(34-2)8-9-25(29-26)27(33,16-31)11-10-21(32)18-5-7-22(36-13-12-30)24(15-18)35-3;1-16-15-18(7-10-20(16)26)24-22(31-4)11-12-23(27-24)25(2,29)14-13-21(28)17-5-8-19(30-3)9-6-17/h4-10,13-17,26,34H,11-12H2,1-3H3;6-10,13,15-16,24,33H,4-5,11-12,14H2,1-3H3;5-10,15-16,30,32,34H,11-14,17H2,1-4H3;5-12,15,33H,13-14H2,1-4H3;4-9,14-15,30-31,33H,10-13,16H2,1-3H3;5-12,15,29H,13-14H2,1-4H3.
What are the key properties of 1-[4-[4-[6-(3-chloro-4-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenyl]pyrrolidin-2-one;4-[6-(3-chloro-4-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-3-ylphenyl)butan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-(methylamino)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(4-methoxyphenyl)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pentan-1-one?
1-[4-[4-[6-(3-chloro-4-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenyl]pyrrolidin-2-one;4-[6-(3-chloro-4-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-3-ylphenyl)butan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-(methylamino)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(4-methoxyphenyl)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pentan-1-one has a molecular weight of 2923.12 g/mol, XLogP of 29.64, 59 rotatable bonds, 10 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[6-(3-chloro-4-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenyl]pyrrolidin-2-one;4-[6-(3-chloro-4-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-3-ylphenyl)butan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-(methylamino)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(4-methoxyphenyl)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pentan-1-one is sourced from PubChem (CID 167678601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).