4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]butan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;1-(3,4-dimethoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;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-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propanamide;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one

C196H207F13N10O36 — CID 158611789

IUPAC4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]butan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;1-(3,4-dimethoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;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-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propanamide;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one
SMILESCOc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OC(C)C(N)=O.COc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCC(C)O.COc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)NCC3(C)C)C(F)(F)F)ccc1OC1CC1.COc1ccc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)cc1OC.COc1ccc(C(O)(CCC(=O)c2cc(OC)c3ncccc3c2)C(F)(F)F)nc1-c1ccc(F)c(C)c1.COc1ccc(C(O)(CCC(=O)c2ccc(OCCO)cc2)C2CC2)nc1-c1ccc(F)c(C)c1
InChIInChI=1S/C31H32F4N2O4.C28H24F4N2O4.C28H31FN2O6.C28H32FNO6.C28H30FNO5.C27H30FNO6.C26H28FNO5/c1-17-13-19(5-9-22(17)32)27-28-21(29(2,3)16-36-28)15-26(37-27)30(39,31(33,34)35)12-11-23(38)18-6-10-24(25(14-18)40-4)41-20-7-8-20;1-16-13-18(6-7-20(16)29)26-22(37-2)8-9-24(34-26)27(36,28(30,31)32)11-10-21(35)19-14-17-5-4-12-33-25(17)23(15-19)38-3;1-16-14-19(6-8-20(16)29)26-23(35-4)10-11-25(31-26)28(3,34)13-12-21(32)18-7-9-22(24(15-18)36-5)37-17(2)27(30)33;1-17-14-20(6-8-21(17)29)27-24(34-4)10-11-26(30-27)28(3,33)13-12-22(32)19-7-9-23(25(15-19)35-5)36-16-18(2)31;1-18-17-20(5-10-23(18)29)27-25(34-2)11-12-26(30-27)28(33,21-6-7-21)14-13-24(32)19-3-8-22(9-4-19)35-16-15-31;1-17-15-19(5-7-20(17)28)26-23(33-3)9-10-25(29-26)27(2,32)12-11-21(31)18-6-8-22(35-14-13-30)24(16-18)34-4;1-16-14-18(6-8-19(16)27)25-22(32-4)10-11-24(28-25)26(2,30)13-12-20(29)17-7-9-21(31-3)23(15-17)33-5/h5-6,9-10,13-15,20,36,39H,7-8,11-12,16H2,1-4H3;4-9,12-15,36H,10-11H2,1-3H3;6-11,14-15,17,34H,12-13H2,1-5H3,(H2,30,33);6-11,14-15,18,31,33H,12-13,16H2,1-5H3;3-5,8-12,17,21,31,33H,6-7,13-16H2,1-2H3;5-10,15-16,30,32H,11-14H2,1-4H3;6-11,14-15,30H,12-13H2,1-5H3
InChIKeyHWXQJPNTLIQONJ-UHFFFAOYSA-N
MW3525.82 g/mol
LogP36.60
Rot. Bonds70

About 4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]butan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;1-(3,4-dimethoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;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-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propanamide;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one

4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]butan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;1-(3,4-dimethoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;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-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propanamide;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one (PubChem CID 158611789) has the molecular formula C196H207F13N10O36 and a molecular weight of 3525.82 g/mol. Its IUPAC name is 4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]butan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;1-(3,4-dimethoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;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-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propanamide;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one.

Molecular Properties

Compound Name4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]butan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;1-(3,4-dimethoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;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-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propanamide;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one
PubChem CID158611789
Molecular FormulaC196H207F13N10O36
Molecular Weight3525.82 g/mol
Exact Mass3523.45
IUPAC Name4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]butan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;1-(3,4-dimethoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;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-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propanamide;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one
SMILESCOc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OC(C)C(N)=O.COc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCC(C)O.COc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)NCC3(C)C)C(F)(F)F)ccc1OC1CC1.COc1ccc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)cc1OC.COc1ccc(C(O)(CCC(=O)c2cc(OC)c3ncccc3c2)C(F)(F)F)nc1-c1ccc(F)c(C)c1.COc1ccc(C(O)(CCC(=O)c2ccc(OCCO)cc2)C2CC2)nc1-c1ccc(F)c(C)c1
InChIInChI=1S/C31H32F4N2O4.C28H24F4N2O4.C28H31FN2O6.C28H32FNO6.C28H30FNO5.C27H30FNO6.C26H28FNO5/c1-17-13-19(5-9-22(17)32)27-28-21(29(2,3)16-36-28)15-26(37-27)30(39,31(33,34)35)12-11-23(38)18-6-10-24(25(14-18)40-4)41-20-7-8-20;1-16-13-18(6-7-20(16)29)26-22(37-2)8-9-24(34-26)27(36,28(30,31)32)11-10-21(35)19-14-17-5-4-12-33-25(17)23(15-19)38-3;1-16-14-19(6-8-20(16)29)26-23(35-4)10-11-25(31-26)28(3,34)13-12-21(32)18-7-9-22(24(15-18)36-5)37-17(2)27(30)33;1-17-14-20(6-8-21(17)29)27-24(34-4)10-11-26(30-27)28(3,33)13-12-22(32)19-7-9-23(25(15-19)35-5)36-16-18(2)31;1-18-17-20(5-10-23(18)29)27-25(34-2)11-12-26(30-27)28(33,21-6-7-21)14-13-24(32)19-3-8-22(9-4-19)35-16-15-31;1-17-15-19(5-7-20(17)28)26-23(33-3)9-10-25(29-26)27(2,32)12-11-21(31)18-6-8-22(35-14-13-30)24(16-18)34-4;1-16-14-18(6-8-19(16)27)25-22(32-4)10-11-24(28-25)26(2,30)13-12-20(29)17-7-9-21(31-3)23(15-17)33-5/h5-6,9-10,13-15,20,36,39H,7-8,11-12,16H2,1-4H3;4-9,12-15,36H,10-11H2,1-3H3;6-11,14-15,17,34H,12-13H2,1-5H3,(H2,30,33);6-11,14-15,18,31,33H,12-13,16H2,1-5H3;3-5,8-12,17,21,31,33H,6-7,13-16H2,1-2H3;5-10,15-16,30,32H,11-14H2,1-4H3;6-11,14-15,30H,12-13H2,1-5H3
InChIKeyHWXQJPNTLIQONJ-UHFFFAOYSA-N
XLogP36.60
TPSA646.17 Ų
H-Bond Donors12
H-Bond Acceptors45
Rotatable Bonds70
Heavy Atoms255
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003525.82
LogP ≤ 536.60
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1045

Analyze 4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]butan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;1-(3,4-dimethoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;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-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propanamide;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-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-[4-(2-hydroxyethoxy)phenyl]butan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;1-(3,4-dimethoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;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-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propanamide;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one?
The IUPAC name of 4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]butan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;1-(3,4-dimethoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;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-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propanamide;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one (CID 158611789) is 4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]butan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;1-(3,4-dimethoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;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-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propanamide;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one.
What is the SMILES notation for 4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]butan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;1-(3,4-dimethoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;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-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propanamide;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one?
The canonical SMILES for 4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]butan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;1-(3,4-dimethoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;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-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propanamide;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one is COc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OC(C)C(N)=O.COc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCC(C)O.COc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)NCC3(C)C)C(F)(F)F)ccc1OC1CC1.COc1ccc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)cc1OC.COc1ccc(C(O)(CCC(=O)c2cc(OC)c3ncccc3c2)C(F)(F)F)nc1-c1ccc(F)c(C)c1.COc1ccc(C(O)(CCC(=O)c2ccc(OCCO)cc2)C2CC2)nc1-c1ccc(F)c(C)c1.
What is the InChIKey of 4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]butan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;1-(3,4-dimethoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;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-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propanamide;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one?
The InChIKey is HWXQJPNTLIQONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F4N2O4.C28H24F4N2O4.C28H31FN2O6.C28H32FNO6.C28H30FNO5.C27H30FNO6.C26H28FNO5/c1-17-13-19(5-9-22(17)32)27-28-21(29(2,3)16-36-28)15-26(37-27)30(39,31(33,34)35)12-11-23(38)18-6-10-24(25(14-18)40-4)41-20-7-8-20;1-16-13-18(6-7-20(16)29)26-22(37-2)8-9-24(34-26)27(36,28(30,31)32)11-10-21(35)19-14-17-5-4-12-33-25(17)23(15-19)38-3;1-16-14-19(6-8-20(16)29)26-23(35-4)10-11-25(31-26)28(3,34)13-12-21(32)18-7-9-22(24(15-18)36-5)37-17(2)27(30)33;1-17-14-20(6-8-21(17)29)27-24(34-4)10-11-26(30-27)28(3,33)13-12-22(32)19-7-9-23(25(15-19)35-5)36-16-18(2)31;1-18-17-20(5-10-23(18)29)27-25(34-2)11-12-26(30-27)28(33,21-6-7-21)14-13-24(32)19-3-8-22(9-4-19)35-16-15-31;1-17-15-19(5-7-20(17)28)26-23(33-3)9-10-25(29-26)27(2,32)12-11-21(31)18-6-8-22(35-14-13-30)24(16-18)34-4;1-16-14-18(6-8-19(16)27)25-22(32-4)10-11-24(28-25)26(2,30)13-12-20(29)17-7-9-21(31-3)23(15-17)33-5/h5-6,9-10,13-15,20,36,39H,7-8,11-12,16H2,1-4H3;4-9,12-15,36H,10-11H2,1-3H3;6-11,14-15,17,34H,12-13H2,1-5H3,(H2,30,33);6-11,14-15,18,31,33H,12-13,16H2,1-5H3;3-5,8-12,17,21,31,33H,6-7,13-16H2,1-2H3;5-10,15-16,30,32H,11-14H2,1-4H3;6-11,14-15,30H,12-13H2,1-5H3.
What are the key properties of 4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]butan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;1-(3,4-dimethoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;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-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propanamide;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one?
4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]butan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;1-(3,4-dimethoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;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-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propanamide;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one has a molecular weight of 3525.82 g/mol, XLogP of 36.60, 70 rotatable bonds, 12 hydrogen bond donors, and 45 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-[4-(2-hydroxyethoxy)phenyl]butan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;1-(3,4-dimethoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;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-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propanamide;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one is sourced from PubChem (CID 158611789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).