1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxypentan-1-one;1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-4-hydroxy-4-[5-methoxy-6-(4-methylphenyl)-2-pyridinyl]pentan-1-one;4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]pentanoyl]-2-methoxyphenoxy]acetamide;3-[4-[4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]pentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;3-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]piperidin-2-one;5,5,5-trifluoro-4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one

C205H216F20N10O37 — CID 157297350

IUPAC1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxypentan-1-one;1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-4-hydroxy-4-[5-methoxy-6-(4-methylphenyl)-2-pyridinyl]pentan-1-one;4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]pentanoyl]-2-methoxyphenoxy]acetamide;3-[4-[4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]pentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;3-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]piperidin-2-one;5,5,5-trifluoro-4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one
SMILESCOc1cc(C(=O)CCC(C)(F)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OC1CCNC1=O.COc1cc(C(=O)CCC(C)(F)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCC(C)O.COc1cc(C(=O)CCC(C)(F)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCC(N)=O.COc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(C)cc3)n2)ccc1OCC(F)F.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCCC3(C)C)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCCC3(C)C)C(F)(F)F)ccc1OCC(C)O.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CCCNC1=O
InChIInChI=1S/C32H35F4NO6.C32H33F4NO5.C30H30F4N2O6.C29H30F2N2O5.C28H31F2NO5.C27H28F2N2O5.C27H29F2NO5/c1-18-14-21(6-8-23(18)33)28-29-22(30(3,4)12-13-42-29)16-27(37-28)31(40,32(34,35)36)11-10-24(39)20-7-9-25(26(15-20)41-5)43-17-19(2)38;1-18-15-20(5-9-23(18)33)28-29-22(30(2,3)13-14-41-29)17-27(37-28)31(39,32(34,35)36)12-11-24(38)19-6-10-25(26(16-19)40-4)42-21-7-8-21;1-17-15-19(6-8-20(17)31)27-23(40-2)10-11-26(36-27)29(39,30(32,33)34)13-12-21(37)18-7-9-22(25(16-18)41-3)42-24-5-4-14-35-28(24)38;1-17-15-19(5-7-20(17)30)27-23(36-3)9-10-26(33-27)29(2,31)13-11-21(34)18-6-8-22(25(16-18)37-4)38-24-12-14-32-28(24)35;1-17-14-20(6-8-21(17)29)27-24(34-4)10-11-26(31-27)28(3,30)13-12-22(33)19-7-9-23(25(15-19)35-5)36-16-18(2)32;1-16-13-18(5-7-19(16)28)26-22(34-3)9-10-24(31-26)27(2,29)12-11-20(32)17-6-8-21(23(14-17)35-4)36-15-25(30)33;1-17-5-7-18(8-6-17)26-22(33-3)11-12-24(30-26)27(2,32)14-13-20(31)19-9-10-21(23(15-19)34-4)35-16-25(28)29/h6-9,14-16,19,38,40H,10-13,17H2,1-5H3;5-6,9-10,15-17,21,39H,7-8,11-14H2,1-4H3;6-11,15-16,24,39H,4-5,12-14H2,1-3H3,(H,35,38);5-10,15-16,24H,11-14H2,1-4H3,(H,32,35);6-11,14-15,18,32H,12-13,16H2,1-5H3;5-10,13-14H,11-12,15H2,1-4H3,(H2,30,33);5-12,15,25,32H,13-14,16H2,1-4H3
InChIKeyBBMMVQYQCBWUDV-UHFFFAOYSA-N
MW3791.98 g/mol
LogP40.60
Rot. Bonds72

About 1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxypentan-1-one;1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-4-hydroxy-4-[5-methoxy-6-(4-methylphenyl)-2-pyridinyl]pentan-1-one;4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]pentanoyl]-2-methoxyphenoxy]acetamide;3-[4-[4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]pentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;3-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]piperidin-2-one;5,5,5-trifluoro-4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one

1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxypentan-1-one;1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-4-hydroxy-4-[5-methoxy-6-(4-methylphenyl)-2-pyridinyl]pentan-1-one;4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]pentanoyl]-2-methoxyphenoxy]acetamide;3-[4-[4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]pentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;3-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]piperidin-2-one;5,5,5-trifluoro-4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one (PubChem CID 157297350) has the molecular formula C205H216F20N10O37 and a molecular weight of 3791.98 g/mol. Its IUPAC name is 1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxypentan-1-one;1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-4-hydroxy-4-[5-methoxy-6-(4-methylphenyl)-2-pyridinyl]pentan-1-one;4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]pentanoyl]-2-methoxyphenoxy]acetamide;3-[4-[4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]pentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;3-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]piperidin-2-one;5,5,5-trifluoro-4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one.

Molecular Properties

Compound Name1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxypentan-1-one;1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-4-hydroxy-4-[5-methoxy-6-(4-methylphenyl)-2-pyridinyl]pentan-1-one;4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]pentanoyl]-2-methoxyphenoxy]acetamide;3-[4-[4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]pentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;3-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]piperidin-2-one;5,5,5-trifluoro-4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one
PubChem CID157297350
Molecular FormulaC205H216F20N10O37
Molecular Weight3791.98 g/mol
Exact Mass3789.50
IUPAC Name1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxypentan-1-one;1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-4-hydroxy-4-[5-methoxy-6-(4-methylphenyl)-2-pyridinyl]pentan-1-one;4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]pentanoyl]-2-methoxyphenoxy]acetamide;3-[4-[4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]pentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;3-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]piperidin-2-one;5,5,5-trifluoro-4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one
SMILESCOc1cc(C(=O)CCC(C)(F)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OC1CCNC1=O.COc1cc(C(=O)CCC(C)(F)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCC(C)O.COc1cc(C(=O)CCC(C)(F)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCC(N)=O.COc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(C)cc3)n2)ccc1OCC(F)F.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCCC3(C)C)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCCC3(C)C)C(F)(F)F)ccc1OCC(C)O.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CCCNC1=O
InChIInChI=1S/C32H35F4NO6.C32H33F4NO5.C30H30F4N2O6.C29H30F2N2O5.C28H31F2NO5.C27H28F2N2O5.C27H29F2NO5/c1-18-14-21(6-8-23(18)33)28-29-22(30(3,4)12-13-42-29)16-27(37-28)31(40,32(34,35)36)11-10-24(39)20-7-9-25(26(15-20)41-5)43-17-19(2)38;1-18-15-20(5-9-23(18)33)28-29-22(30(2,3)13-14-41-29)17-27(37-28)31(39,32(34,35)36)12-11-24(38)19-6-10-25(26(16-19)40-4)42-21-7-8-21;1-17-15-19(6-8-20(17)31)27-23(40-2)10-11-26(36-27)29(39,30(32,33)34)13-12-21(37)18-7-9-22(25(16-18)41-3)42-24-5-4-14-35-28(24)38;1-17-15-19(5-7-20(17)30)27-23(36-3)9-10-26(33-27)29(2,31)13-11-21(34)18-6-8-22(25(16-18)37-4)38-24-12-14-32-28(24)35;1-17-14-20(6-8-21(17)29)27-24(34-4)10-11-26(31-27)28(3,30)13-12-22(33)19-7-9-23(25(15-19)35-5)36-16-18(2)32;1-16-13-18(5-7-19(16)28)26-22(34-3)9-10-24(31-26)27(2,29)12-11-20(32)17-6-8-21(23(14-17)35-4)36-15-25(30)33;1-17-5-7-18(8-6-17)26-22(33-3)11-12-24(30-26)27(2,32)14-13-20(31)19-9-10-21(23(15-19)34-4)35-16-25(28)29/h6-9,14-16,19,38,40H,10-13,17H2,1-5H3;5-6,9-10,15-17,21,39H,7-8,11-14H2,1-4H3;6-11,15-16,24,39H,4-5,12-14H2,1-3H3,(H,35,38);5-10,15-16,24H,11-14H2,1-4H3,(H,32,35);6-11,14-15,18,32H,12-13,16H2,1-5H3;5-10,13-14H,11-12,15H2,1-4H3,(H2,30,33);5-12,15,25,32H,13-14,16H2,1-4H3
InChIKeyBBMMVQYQCBWUDV-UHFFFAOYSA-N
XLogP40.60
TPSA626.22 Ų
H-Bond Donors9
H-Bond Acceptors44
Rotatable Bonds72
Heavy Atoms272
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003791.98
LogP ≤ 540.60
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1044

Analyze 1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxypentan-1-one;1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-4-hydroxy-4-[5-methoxy-6-(4-methylphenyl)-2-pyridinyl]pentan-1-one;4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]pentanoyl]-2-methoxyphenoxy]acetamide;3-[4-[4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]pentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;3-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]piperidin-2-one;5,5,5-trifluoro-4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxypentan-1-one;1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-4-hydroxy-4-[5-methoxy-6-(4-methylphenyl)-2-pyridinyl]pentan-1-one;4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]pentanoyl]-2-methoxyphenoxy]acetamide;3-[4-[4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]pentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;3-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]piperidin-2-one;5,5,5-trifluoro-4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one?
The IUPAC name of 1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxypentan-1-one;1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-4-hydroxy-4-[5-methoxy-6-(4-methylphenyl)-2-pyridinyl]pentan-1-one;4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]pentanoyl]-2-methoxyphenoxy]acetamide;3-[4-[4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]pentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;3-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]piperidin-2-one;5,5,5-trifluoro-4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one (CID 157297350) is 1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxypentan-1-one;1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-4-hydroxy-4-[5-methoxy-6-(4-methylphenyl)-2-pyridinyl]pentan-1-one;4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]pentanoyl]-2-methoxyphenoxy]acetamide;3-[4-[4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]pentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;3-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]piperidin-2-one;5,5,5-trifluoro-4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one.
What is the SMILES notation for 1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxypentan-1-one;1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-4-hydroxy-4-[5-methoxy-6-(4-methylphenyl)-2-pyridinyl]pentan-1-one;4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]pentanoyl]-2-methoxyphenoxy]acetamide;3-[4-[4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]pentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;3-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]piperidin-2-one;5,5,5-trifluoro-4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one?
The canonical SMILES for 1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxypentan-1-one;1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-4-hydroxy-4-[5-methoxy-6-(4-methylphenyl)-2-pyridinyl]pentan-1-one;4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]pentanoyl]-2-methoxyphenoxy]acetamide;3-[4-[4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]pentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;3-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]piperidin-2-one;5,5,5-trifluoro-4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one is COc1cc(C(=O)CCC(C)(F)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OC1CCNC1=O.COc1cc(C(=O)CCC(C)(F)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCC(C)O.COc1cc(C(=O)CCC(C)(F)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCC(N)=O.COc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(C)cc3)n2)ccc1OCC(F)F.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCCC3(C)C)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCCC3(C)C)C(F)(F)F)ccc1OCC(C)O.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CCCNC1=O.
What is the InChIKey of 1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxypentan-1-one;1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-4-hydroxy-4-[5-methoxy-6-(4-methylphenyl)-2-pyridinyl]pentan-1-one;4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]pentanoyl]-2-methoxyphenoxy]acetamide;3-[4-[4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]pentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;3-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]piperidin-2-one;5,5,5-trifluoro-4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one?
The InChIKey is BBMMVQYQCBWUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35F4NO6.C32H33F4NO5.C30H30F4N2O6.C29H30F2N2O5.C28H31F2NO5.C27H28F2N2O5.C27H29F2NO5/c1-18-14-21(6-8-23(18)33)28-29-22(30(3,4)12-13-42-29)16-27(37-28)31(40,32(34,35)36)11-10-24(39)20-7-9-25(26(15-20)41-5)43-17-19(2)38;1-18-15-20(5-9-23(18)33)28-29-22(30(2,3)13-14-41-29)17-27(37-28)31(39,32(34,35)36)12-11-24(38)19-6-10-25(26(16-19)40-4)42-21-7-8-21;1-17-15-19(6-8-20(17)31)27-23(40-2)10-11-26(36-27)29(39,30(32,33)34)13-12-21(37)18-7-9-22(25(16-18)41-3)42-24-5-4-14-35-28(24)38;1-17-15-19(5-7-20(17)30)27-23(36-3)9-10-26(33-27)29(2,31)13-11-21(34)18-6-8-22(25(16-18)37-4)38-24-12-14-32-28(24)35;1-17-14-20(6-8-21(17)29)27-24(34-4)10-11-26(31-27)28(3,30)13-12-22(33)19-7-9-23(25(15-19)35-5)36-16-18(2)32;1-16-13-18(5-7-19(16)28)26-22(34-3)9-10-24(31-26)27(2,29)12-11-20(32)17-6-8-21(23(14-17)35-4)36-15-25(30)33;1-17-5-7-18(8-6-17)26-22(33-3)11-12-24(30-26)27(2,32)14-13-20(31)19-9-10-21(23(15-19)34-4)35-16-25(28)29/h6-9,14-16,19,38,40H,10-13,17H2,1-5H3;5-6,9-10,15-17,21,39H,7-8,11-14H2,1-4H3;6-11,15-16,24,39H,4-5,12-14H2,1-3H3,(H,35,38);5-10,15-16,24H,11-14H2,1-4H3,(H,32,35);6-11,14-15,18,32H,12-13,16H2,1-5H3;5-10,13-14H,11-12,15H2,1-4H3,(H2,30,33);5-12,15,25,32H,13-14,16H2,1-4H3.
What are the key properties of 1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxypentan-1-one;1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-4-hydroxy-4-[5-methoxy-6-(4-methylphenyl)-2-pyridinyl]pentan-1-one;4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]pentanoyl]-2-methoxyphenoxy]acetamide;3-[4-[4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]pentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;3-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]piperidin-2-one;5,5,5-trifluoro-4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one?
1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxypentan-1-one;1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-4-hydroxy-4-[5-methoxy-6-(4-methylphenyl)-2-pyridinyl]pentan-1-one;4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]pentanoyl]-2-methoxyphenoxy]acetamide;3-[4-[4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]pentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;3-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]piperidin-2-one;5,5,5-trifluoro-4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one has a molecular weight of 3791.98 g/mol, XLogP of 40.60, 72 rotatable bonds, 9 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxypentan-1-one;1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-4-hydroxy-4-[5-methoxy-6-(4-methylphenyl)-2-pyridinyl]pentan-1-one;4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]pentanoyl]-2-methoxyphenoxy]acetamide;3-[4-[4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]pentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;3-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]piperidin-2-one;5,5,5-trifluoro-4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one is sourced from PubChem (CID 157297350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).