4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[3-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]butan-1-one;4-[4-ethyl-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;[5-[4-(2-fluoroethoxy)-3-methoxyphenyl]-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-5-oxopentan-2-yl] acetate;3-[4-[4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;3-[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxypentanoyl]phenoxy]acetamide;3-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]-1-methylpyrrolidin-2-one

C211H226F14N14O40 — CID 158021263

IUPAC4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[3-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]butan-1-one;4-[4-ethyl-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;[5-[4-(2-fluoroethoxy)-3-methoxyphenyl]-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-5-oxopentan-2-yl] acetate;3-[4-[4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;3-[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxypentanoyl]phenoxy]acetamide;3-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]-1-methylpyrrolidin-2-one
SMILESCCc1cc(-c2ccc(F)c(C)c2)nc(C(C)(O)CCC(=O)c2ccc(OCCO)c(OC)c2)c1.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCCC3(C)C)ccc1OC1CCNC1=O.COc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OC1CCNC1=O.COc1cc(C(=O)CCC(C)(OC(C)=O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCF.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCCC3(C)C)C(F)(F)F)ccc1OCC(N)=O.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CCN(C)C1=O.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C2CC2)ccc1OCc1ncnn1C
InChIInChI=1S/C33H37FN2O6.C31H32F4N2O6.C31H33FN4O5.C30H30F4N2O6.C29H31F2NO6.C29H31FN2O6.C28H32FNO5/c1-19-16-21(6-8-23(19)34)29-30-22(32(2,3)13-15-41-30)18-28(36-29)33(4,39)12-10-24(37)20-7-9-25(27(17-20)40-5)42-26-11-14-35-31(26)38;1-17-13-19(5-7-21(17)32)27-28-20(29(2,3)11-12-42-28)15-25(37-27)30(40,31(33,34)35)10-9-22(38)18-6-8-23(24(14-18)41-4)43-16-26(36)39;1-19-15-21(5-9-23(19)32)30-26(39-3)11-12-28(35-30)31(38,22-7-8-22)14-13-24(37)20-6-10-25(27(16-20)40-4)41-17-29-33-18-34-36(29)2;1-17-15-19(5-7-20(17)31)27-23(40-3)9-10-26(35-27)29(39,30(32,33)34)13-11-21(37)18-6-8-22(25(16-18)41-4)42-24-12-14-36(2)28(24)38;1-18-16-21(6-8-22(18)31)28-25(35-4)10-11-27(32-28)29(3,38-19(2)33)13-12-23(34)20-7-9-24(37-15-14-30)26(17-20)36-5;1-17-15-19(5-7-20(17)30)27-23(36-3)9-10-26(32-27)29(2,35)13-11-21(33)18-6-8-22(25(16-18)37-4)38-24-12-14-31-28(24)34;1-5-19-15-23(20-6-8-22(29)18(2)14-20)30-27(16-19)28(3,33)11-10-24(32)21-7-9-25(35-13-12-31)26(17-21)34-4/h6-9,16-18,26,39H,10-15H2,1-5H3,(H,35,38);5-8,13-15,40H,9-12,16H2,1-4H3,(H2,36,39);5-6,9-12,15-16,18,22,38H,7-8,13-14,17H2,1-4H3;5-10,15-16,24,39H,11-14H2,1-4H3;6-11,16-17H,12-15H2,1-5H3;5-10,15-16,24,35H,11-14H2,1-4H3,(H,31,34);6-9,14-17,31,33H,5,10-13H2,1-4H3
InChIKeyFGBXWYQFUTUKGO-UHFFFAOYSA-N
MW3864.16 g/mol
LogP36.73
Rot. Bonds74

About 4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[3-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]butan-1-one;4-[4-ethyl-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;[5-[4-(2-fluoroethoxy)-3-methoxyphenyl]-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-5-oxopentan-2-yl] acetate;3-[4-[4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;3-[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxypentanoyl]phenoxy]acetamide;3-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]-1-methylpyrrolidin-2-one

4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[3-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]butan-1-one;4-[4-ethyl-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;[5-[4-(2-fluoroethoxy)-3-methoxyphenyl]-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-5-oxopentan-2-yl] acetate;3-[4-[4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;3-[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxypentanoyl]phenoxy]acetamide;3-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]-1-methylpyrrolidin-2-one (PubChem CID 158021263) has the molecular formula C211H226F14N14O40 and a molecular weight of 3864.16 g/mol. Its IUPAC name is 4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[3-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]butan-1-one;4-[4-ethyl-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;[5-[4-(2-fluoroethoxy)-3-methoxyphenyl]-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-5-oxopentan-2-yl] acetate;3-[4-[4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;3-[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxypentanoyl]phenoxy]acetamide;3-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[3-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]butan-1-one;4-[4-ethyl-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;[5-[4-(2-fluoroethoxy)-3-methoxyphenyl]-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-5-oxopentan-2-yl] acetate;3-[4-[4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;3-[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxypentanoyl]phenoxy]acetamide;3-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]-1-methylpyrrolidin-2-one
PubChem CID158021263
Molecular FormulaC211H226F14N14O40
Molecular Weight3864.16 g/mol
Exact Mass3861.59
IUPAC Name4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[3-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]butan-1-one;4-[4-ethyl-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;[5-[4-(2-fluoroethoxy)-3-methoxyphenyl]-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-5-oxopentan-2-yl] acetate;3-[4-[4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;3-[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxypentanoyl]phenoxy]acetamide;3-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]-1-methylpyrrolidin-2-one
SMILESCCc1cc(-c2ccc(F)c(C)c2)nc(C(C)(O)CCC(=O)c2ccc(OCCO)c(OC)c2)c1.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCCC3(C)C)ccc1OC1CCNC1=O.COc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OC1CCNC1=O.COc1cc(C(=O)CCC(C)(OC(C)=O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCF.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCCC3(C)C)C(F)(F)F)ccc1OCC(N)=O.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CCN(C)C1=O.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C2CC2)ccc1OCc1ncnn1C
InChIInChI=1S/C33H37FN2O6.C31H32F4N2O6.C31H33FN4O5.C30H30F4N2O6.C29H31F2NO6.C29H31FN2O6.C28H32FNO5/c1-19-16-21(6-8-23(19)34)29-30-22(32(2,3)13-15-41-30)18-28(36-29)33(4,39)12-10-24(37)20-7-9-25(27(17-20)40-5)42-26-11-14-35-31(26)38;1-17-13-19(5-7-21(17)32)27-28-20(29(2,3)11-12-42-28)15-25(37-27)30(40,31(33,34)35)10-9-22(38)18-6-8-23(24(14-18)41-4)43-16-26(36)39;1-19-15-21(5-9-23(19)32)30-26(39-3)11-12-28(35-30)31(38,22-7-8-22)14-13-24(37)20-6-10-25(27(16-20)40-4)41-17-29-33-18-34-36(29)2;1-17-15-19(5-7-20(17)31)27-23(40-3)9-10-26(35-27)29(39,30(32,33)34)13-11-21(37)18-6-8-22(25(16-18)41-4)42-24-12-14-36(2)28(24)38;1-18-16-21(6-8-22(18)31)28-25(35-4)10-11-27(32-28)29(3,38-19(2)33)13-12-23(34)20-7-9-24(37-15-14-30)26(17-20)36-5;1-17-15-19(5-7-20(17)30)27-23(36-3)9-10-26(32-27)29(2,35)13-11-21(33)18-6-8-22(25(16-18)37-4)38-24-12-14-31-28(24)34;1-5-19-15-23(20-6-8-22(29)18(2)14-20)30-27(16-19)28(3,33)11-10-24(32)21-7-9-25(35-13-12-31)26(17-21)34-4/h6-9,16-18,26,39H,10-15H2,1-5H3,(H,35,38);5-8,13-15,40H,9-12,16H2,1-4H3,(H2,36,39);5-6,9-12,15-16,18,22,38H,7-8,13-14,17H2,1-4H3;5-10,15-16,24,39H,11-14H2,1-4H3;6-11,16-17H,12-15H2,1-5H3;5-10,15-16,24,35H,11-14H2,1-4H3,(H,31,34);6-9,14-17,31,33H,5,10-13H2,1-4H3
InChIKeyFGBXWYQFUTUKGO-UHFFFAOYSA-N
XLogP36.73
TPSA714.54 Ų
H-Bond Donors10
H-Bond Acceptors50
Rotatable Bonds74
Heavy Atoms279
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003864.16
LogP ≤ 536.73
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1050

Analyze 4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[3-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]butan-1-one;4-[4-ethyl-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;[5-[4-(2-fluoroethoxy)-3-methoxyphenyl]-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-5-oxopentan-2-yl] acetate;3-[4-[4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;3-[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxypentanoyl]phenoxy]acetamide;3-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]-1-methylpyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[3-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]butan-1-one;4-[4-ethyl-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;[5-[4-(2-fluoroethoxy)-3-methoxyphenyl]-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-5-oxopentan-2-yl] acetate;3-[4-[4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;3-[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxypentanoyl]phenoxy]acetamide;3-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]-1-methylpyrrolidin-2-one?
The IUPAC name of 4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[3-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]butan-1-one;4-[4-ethyl-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;[5-[4-(2-fluoroethoxy)-3-methoxyphenyl]-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-5-oxopentan-2-yl] acetate;3-[4-[4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;3-[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxypentanoyl]phenoxy]acetamide;3-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]-1-methylpyrrolidin-2-one (CID 158021263) is 4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[3-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]butan-1-one;4-[4-ethyl-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;[5-[4-(2-fluoroethoxy)-3-methoxyphenyl]-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-5-oxopentan-2-yl] acetate;3-[4-[4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;3-[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxypentanoyl]phenoxy]acetamide;3-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[3-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]butan-1-one;4-[4-ethyl-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;[5-[4-(2-fluoroethoxy)-3-methoxyphenyl]-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-5-oxopentan-2-yl] acetate;3-[4-[4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;3-[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxypentanoyl]phenoxy]acetamide;3-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]-1-methylpyrrolidin-2-one?
The canonical SMILES for 4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[3-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]butan-1-one;4-[4-ethyl-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;[5-[4-(2-fluoroethoxy)-3-methoxyphenyl]-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-5-oxopentan-2-yl] acetate;3-[4-[4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;3-[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxypentanoyl]phenoxy]acetamide;3-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]-1-methylpyrrolidin-2-one is CCc1cc(-c2ccc(F)c(C)c2)nc(C(C)(O)CCC(=O)c2ccc(OCCO)c(OC)c2)c1.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCCC3(C)C)ccc1OC1CCNC1=O.COc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OC1CCNC1=O.COc1cc(C(=O)CCC(C)(OC(C)=O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCF.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCCC3(C)C)C(F)(F)F)ccc1OCC(N)=O.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CCN(C)C1=O.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C2CC2)ccc1OCc1ncnn1C.
What is the InChIKey of 4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[3-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]butan-1-one;4-[4-ethyl-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;[5-[4-(2-fluoroethoxy)-3-methoxyphenyl]-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-5-oxopentan-2-yl] acetate;3-[4-[4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;3-[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxypentanoyl]phenoxy]acetamide;3-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]-1-methylpyrrolidin-2-one?
The InChIKey is FGBXWYQFUTUKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37FN2O6.C31H32F4N2O6.C31H33FN4O5.C30H30F4N2O6.C29H31F2NO6.C29H31FN2O6.C28H32FNO5/c1-19-16-21(6-8-23(19)34)29-30-22(32(2,3)13-15-41-30)18-28(36-29)33(4,39)12-10-24(37)20-7-9-25(27(17-20)40-5)42-26-11-14-35-31(26)38;1-17-13-19(5-7-21(17)32)27-28-20(29(2,3)11-12-42-28)15-25(37-27)30(40,31(33,34)35)10-9-22(38)18-6-8-23(24(14-18)41-4)43-16-26(36)39;1-19-15-21(5-9-23(19)32)30-26(39-3)11-12-28(35-30)31(38,22-7-8-22)14-13-24(37)20-6-10-25(27(16-20)40-4)41-17-29-33-18-34-36(29)2;1-17-15-19(5-7-20(17)31)27-23(40-3)9-10-26(35-27)29(39,30(32,33)34)13-11-21(37)18-6-8-22(25(16-18)41-4)42-24-12-14-36(2)28(24)38;1-18-16-21(6-8-22(18)31)28-25(35-4)10-11-27(32-28)29(3,38-19(2)33)13-12-23(34)20-7-9-24(37-15-14-30)26(17-20)36-5;1-17-15-19(5-7-20(17)30)27-23(36-3)9-10-26(32-27)29(2,35)13-11-21(33)18-6-8-22(25(16-18)37-4)38-24-12-14-31-28(24)34;1-5-19-15-23(20-6-8-22(29)18(2)14-20)30-27(16-19)28(3,33)11-10-24(32)21-7-9-25(35-13-12-31)26(17-21)34-4/h6-9,16-18,26,39H,10-15H2,1-5H3,(H,35,38);5-8,13-15,40H,9-12,16H2,1-4H3,(H2,36,39);5-6,9-12,15-16,18,22,38H,7-8,13-14,17H2,1-4H3;5-10,15-16,24,39H,11-14H2,1-4H3;6-11,16-17H,12-15H2,1-5H3;5-10,15-16,24,35H,11-14H2,1-4H3,(H,31,34);6-9,14-17,31,33H,5,10-13H2,1-4H3.
What are the key properties of 4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[3-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]butan-1-one;4-[4-ethyl-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;[5-[4-(2-fluoroethoxy)-3-methoxyphenyl]-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-5-oxopentan-2-yl] acetate;3-[4-[4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;3-[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxypentanoyl]phenoxy]acetamide;3-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]-1-methylpyrrolidin-2-one?
4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[3-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]butan-1-one;4-[4-ethyl-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;[5-[4-(2-fluoroethoxy)-3-methoxyphenyl]-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-5-oxopentan-2-yl] acetate;3-[4-[4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;3-[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxypentanoyl]phenoxy]acetamide;3-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]-1-methylpyrrolidin-2-one has a molecular weight of 3864.16 g/mol, XLogP of 36.73, 74 rotatable bonds, 10 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[3-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]butan-1-one;4-[4-ethyl-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;[5-[4-(2-fluoroethoxy)-3-methoxyphenyl]-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-5-oxopentan-2-yl] acetate;3-[4-[4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;3-[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxypentanoyl]phenoxy]acetamide;3-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 158021263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).