3-[4-[4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxybutanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)butan-1-one;4-[3,3-dimethyl-7-(7-methyl-1H-indol-3-yl)-2H-furo[2,3-c]pyridin-5-yl]-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-hydroxypentan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-imidazol-1-ylpentan-1-one;4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-5-imidazol-1-yl-1-(8-methoxyquinolin-6-yl)pentan-1-one

C196H207F7N14O30 — CID 158718146

IUPAC3-[4-[4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxybutanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)butan-1-one;4-[3,3-dimethyl-7-(7-methyl-1H-indol-3-yl)-2H-furo[2,3-c]pyridin-5-yl]-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-hydroxypentan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-imidazol-1-ylpentan-1-one;4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-5-imidazol-1-yl-1-(8-methoxyquinolin-6-yl)pentan-1-one
SMILESCOc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4c[nH]c5c(C)cccc45)n2)OCC3(C)C)ccc1OCCF.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)C)ccc1OCCF.COc1cc(C(=O)CCC(O)(Cn2ccnc2)c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)C)cc2cccnc12.COc1cc(C(=O)CCC(O)(Cn2ccnc2)c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)C)ccc1OCCO.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)C)C2CC2)cc2cccnc12.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)C)C2CC2)ccc1OC1CCNC1=O
InChIInChI=1S/C34H33FN4O4.C34H37FN2O6.C33H36FN3O6.C33H33FN2O4.C32H35FN2O5.C30H33F2NO5/c1-21-14-23(7-8-26(21)35)31-32-25(33(2,3)19-43-32)17-29(38-31)34(41,18-39-13-12-36-20-39)10-9-27(40)24-15-22-6-5-11-37-30(22)28(16-24)42-4;1-19-15-21(5-9-24(19)35)30-31-23(33(2,3)18-42-31)17-29(37-30)34(40,22-7-8-22)13-11-25(38)20-6-10-26(28(16-20)41-4)43-27-12-14-36-32(27)39;1-21-15-23(5-7-25(21)34)30-31-24(32(2,3)19-43-31)17-29(36-30)33(40,18-37-12-11-35-20-37)10-9-26(39)22-6-8-27(42-14-13-38)28(16-22)41-4;1-19-14-21(7-10-25(19)34)30-31-24(32(2,3)18-40-31)17-28(36-30)33(38,23-8-9-23)12-11-26(37)22-15-20-6-5-13-35-29(20)27(16-22)39-4;1-19-7-6-8-21-22(17-34-28(19)21)29-30-23(31(2,3)18-40-30)16-27(35-29)32(4,37)12-11-24(36)20-9-10-25(39-14-13-33)26(15-20)38-5;1-18-14-20(6-8-22(18)32)27-28-21(29(2,3)17-38-28)16-26(33-27)30(4,35)11-10-23(34)19-7-9-24(37-13-12-31)25(15-19)36-5/h5-8,11-17,20,41H,9-10,18-19H2,1-4H3;5-6,9-10,15-17,22,27,40H,7-8,11-14,18H2,1-4H3,(H,36,39);5-8,11-12,15-17,20,38,40H,9-10,13-14,18-19H2,1-4H3;5-7,10,13-17,23,38H,8-9,11-12,18H2,1-4H3;6-10,15-17,34,37H,11-14,18H2,1-5H3;6-9,14-16,35H,10-13,17H2,1-5H3
InChIKeyIJOSNJCHMATXMB-UHFFFAOYSA-N
MW3371.87 g/mol
LogP35.78
Rot. Bonds59

About 3-[4-[4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxybutanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)butan-1-one;4-[3,3-dimethyl-7-(7-methyl-1H-indol-3-yl)-2H-furo[2,3-c]pyridin-5-yl]-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-hydroxypentan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-imidazol-1-ylpentan-1-one;4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-5-imidazol-1-yl-1-(8-methoxyquinolin-6-yl)pentan-1-one

3-[4-[4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxybutanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)butan-1-one;4-[3,3-dimethyl-7-(7-methyl-1H-indol-3-yl)-2H-furo[2,3-c]pyridin-5-yl]-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-hydroxypentan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-imidazol-1-ylpentan-1-one;4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-5-imidazol-1-yl-1-(8-methoxyquinolin-6-yl)pentan-1-one (PubChem CID 158718146) has the molecular formula C196H207F7N14O30 and a molecular weight of 3371.87 g/mol. Its IUPAC name is 3-[4-[4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxybutanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)butan-1-one;4-[3,3-dimethyl-7-(7-methyl-1H-indol-3-yl)-2H-furo[2,3-c]pyridin-5-yl]-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-hydroxypentan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-imidazol-1-ylpentan-1-one;4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-5-imidazol-1-yl-1-(8-methoxyquinolin-6-yl)pentan-1-one.

Molecular Properties

Compound Name3-[4-[4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxybutanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)butan-1-one;4-[3,3-dimethyl-7-(7-methyl-1H-indol-3-yl)-2H-furo[2,3-c]pyridin-5-yl]-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-hydroxypentan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-imidazol-1-ylpentan-1-one;4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-5-imidazol-1-yl-1-(8-methoxyquinolin-6-yl)pentan-1-one
PubChem CID158718146
Molecular FormulaC196H207F7N14O30
Molecular Weight3371.87 g/mol
Exact Mass3369.50
IUPAC Name3-[4-[4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxybutanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)butan-1-one;4-[3,3-dimethyl-7-(7-methyl-1H-indol-3-yl)-2H-furo[2,3-c]pyridin-5-yl]-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-hydroxypentan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-imidazol-1-ylpentan-1-one;4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-5-imidazol-1-yl-1-(8-methoxyquinolin-6-yl)pentan-1-one
SMILESCOc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4c[nH]c5c(C)cccc45)n2)OCC3(C)C)ccc1OCCF.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)C)ccc1OCCF.COc1cc(C(=O)CCC(O)(Cn2ccnc2)c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)C)cc2cccnc12.COc1cc(C(=O)CCC(O)(Cn2ccnc2)c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)C)ccc1OCCO.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)C)C2CC2)cc2cccnc12.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)C)C2CC2)ccc1OC1CCNC1=O
InChIInChI=1S/C34H33FN4O4.C34H37FN2O6.C33H36FN3O6.C33H33FN2O4.C32H35FN2O5.C30H33F2NO5/c1-21-14-23(7-8-26(21)35)31-32-25(33(2,3)19-43-32)17-29(38-31)34(41,18-39-13-12-36-20-39)10-9-27(40)24-15-22-6-5-11-37-30(22)28(16-24)42-4;1-19-15-21(5-9-24(19)35)30-31-23(33(2,3)18-42-31)17-29(37-30)34(40,22-7-8-22)13-11-25(38)20-6-10-26(28(16-20)41-4)43-27-12-14-36-32(27)39;1-21-15-23(5-7-25(21)34)30-31-24(32(2,3)19-43-31)17-29(36-30)33(40,18-37-12-11-35-20-37)10-9-26(39)22-6-8-27(42-14-13-38)28(16-22)41-4;1-19-14-21(7-10-25(19)34)30-31-24(32(2,3)18-40-31)17-28(36-30)33(38,23-8-9-23)12-11-26(37)22-15-20-6-5-13-35-29(20)27(16-22)39-4;1-19-7-6-8-21-22(17-34-28(19)21)29-30-23(31(2,3)18-40-30)16-27(35-29)32(4,37)12-11-24(36)20-9-10-25(39-14-13-33)26(15-20)38-5;1-18-14-20(6-8-22(18)32)27-28-21(29(2,3)17-38-28)16-26(33-27)30(4,35)11-10-23(34)19-7-9-24(37-13-12-31)25(15-19)36-5/h5-8,11-17,20,41H,9-10,18-19H2,1-4H3;5-6,9-10,15-17,22,27,40H,7-8,11-14,18H2,1-4H3,(H,36,39);5-8,11-12,15-17,20,38,40H,9-10,13-14,18-19H2,1-4H3;5-7,10,13-17,23,38H,8-9,11-12,18H2,1-4H3;6-10,15-17,34,37H,11-14,18H2,1-5H3;6-9,14-16,35H,10-13,17H2,1-5H3
InChIKeyIJOSNJCHMATXMB-UHFFFAOYSA-N
XLogP35.78
TPSA575.36 Ų
H-Bond Donors9
H-Bond Acceptors42
Rotatable Bonds59
Heavy Atoms247
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003371.87
LogP ≤ 535.78
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1042

Analyze 3-[4-[4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxybutanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)butan-1-one;4-[3,3-dimethyl-7-(7-methyl-1H-indol-3-yl)-2H-furo[2,3-c]pyridin-5-yl]-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-hydroxypentan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-imidazol-1-ylpentan-1-one;4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-5-imidazol-1-yl-1-(8-methoxyquinolin-6-yl)pentan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxybutanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)butan-1-one;4-[3,3-dimethyl-7-(7-methyl-1H-indol-3-yl)-2H-furo[2,3-c]pyridin-5-yl]-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-hydroxypentan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-imidazol-1-ylpentan-1-one;4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-5-imidazol-1-yl-1-(8-methoxyquinolin-6-yl)pentan-1-one?
The IUPAC name of 3-[4-[4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxybutanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)butan-1-one;4-[3,3-dimethyl-7-(7-methyl-1H-indol-3-yl)-2H-furo[2,3-c]pyridin-5-yl]-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-hydroxypentan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-imidazol-1-ylpentan-1-one;4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-5-imidazol-1-yl-1-(8-methoxyquinolin-6-yl)pentan-1-one (CID 158718146) is 3-[4-[4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxybutanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)butan-1-one;4-[3,3-dimethyl-7-(7-methyl-1H-indol-3-yl)-2H-furo[2,3-c]pyridin-5-yl]-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-hydroxypentan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-imidazol-1-ylpentan-1-one;4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-5-imidazol-1-yl-1-(8-methoxyquinolin-6-yl)pentan-1-one.
What is the SMILES notation for 3-[4-[4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxybutanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)butan-1-one;4-[3,3-dimethyl-7-(7-methyl-1H-indol-3-yl)-2H-furo[2,3-c]pyridin-5-yl]-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-hydroxypentan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-imidazol-1-ylpentan-1-one;4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-5-imidazol-1-yl-1-(8-methoxyquinolin-6-yl)pentan-1-one?
The canonical SMILES for 3-[4-[4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxybutanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)butan-1-one;4-[3,3-dimethyl-7-(7-methyl-1H-indol-3-yl)-2H-furo[2,3-c]pyridin-5-yl]-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-hydroxypentan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-imidazol-1-ylpentan-1-one;4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-5-imidazol-1-yl-1-(8-methoxyquinolin-6-yl)pentan-1-one is COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4c[nH]c5c(C)cccc45)n2)OCC3(C)C)ccc1OCCF.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)C)ccc1OCCF.COc1cc(C(=O)CCC(O)(Cn2ccnc2)c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)C)cc2cccnc12.COc1cc(C(=O)CCC(O)(Cn2ccnc2)c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)C)ccc1OCCO.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)C)C2CC2)cc2cccnc12.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)C)C2CC2)ccc1OC1CCNC1=O.
What is the InChIKey of 3-[4-[4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxybutanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)butan-1-one;4-[3,3-dimethyl-7-(7-methyl-1H-indol-3-yl)-2H-furo[2,3-c]pyridin-5-yl]-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-hydroxypentan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-imidazol-1-ylpentan-1-one;4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-5-imidazol-1-yl-1-(8-methoxyquinolin-6-yl)pentan-1-one?
The InChIKey is IJOSNJCHMATXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33FN4O4.C34H37FN2O6.C33H36FN3O6.C33H33FN2O4.C32H35FN2O5.C30H33F2NO5/c1-21-14-23(7-8-26(21)35)31-32-25(33(2,3)19-43-32)17-29(38-31)34(41,18-39-13-12-36-20-39)10-9-27(40)24-15-22-6-5-11-37-30(22)28(16-24)42-4;1-19-15-21(5-9-24(19)35)30-31-23(33(2,3)18-42-31)17-29(37-30)34(40,22-7-8-22)13-11-25(38)20-6-10-26(28(16-20)41-4)43-27-12-14-36-32(27)39;1-21-15-23(5-7-25(21)34)30-31-24(32(2,3)19-43-31)17-29(36-30)33(40,18-37-12-11-35-20-37)10-9-26(39)22-6-8-27(42-14-13-38)28(16-22)41-4;1-19-14-21(7-10-25(19)34)30-31-24(32(2,3)18-40-31)17-28(36-30)33(38,23-8-9-23)12-11-26(37)22-15-20-6-5-13-35-29(20)27(16-22)39-4;1-19-7-6-8-21-22(17-34-28(19)21)29-30-23(31(2,3)18-40-30)16-27(35-29)32(4,37)12-11-24(36)20-9-10-25(39-14-13-33)26(15-20)38-5;1-18-14-20(6-8-22(18)32)27-28-21(29(2,3)17-38-28)16-26(33-27)30(4,35)11-10-23(34)19-7-9-24(37-13-12-31)25(15-19)36-5/h5-8,11-17,20,41H,9-10,18-19H2,1-4H3;5-6,9-10,15-17,22,27,40H,7-8,11-14,18H2,1-4H3,(H,36,39);5-8,11-12,15-17,20,38,40H,9-10,13-14,18-19H2,1-4H3;5-7,10,13-17,23,38H,8-9,11-12,18H2,1-4H3;6-10,15-17,34,37H,11-14,18H2,1-5H3;6-9,14-16,35H,10-13,17H2,1-5H3.
What are the key properties of 3-[4-[4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxybutanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)butan-1-one;4-[3,3-dimethyl-7-(7-methyl-1H-indol-3-yl)-2H-furo[2,3-c]pyridin-5-yl]-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-hydroxypentan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-imidazol-1-ylpentan-1-one;4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-5-imidazol-1-yl-1-(8-methoxyquinolin-6-yl)pentan-1-one?
3-[4-[4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxybutanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)butan-1-one;4-[3,3-dimethyl-7-(7-methyl-1H-indol-3-yl)-2H-furo[2,3-c]pyridin-5-yl]-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-hydroxypentan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-imidazol-1-ylpentan-1-one;4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-5-imidazol-1-yl-1-(8-methoxyquinolin-6-yl)pentan-1-one has a molecular weight of 3371.87 g/mol, XLogP of 35.78, 59 rotatable bonds, 9 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxybutanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)butan-1-one;4-[3,3-dimethyl-7-(7-methyl-1H-indol-3-yl)-2H-furo[2,3-c]pyridin-5-yl]-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-hydroxypentan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-imidazol-1-ylpentan-1-one;4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-5-imidazol-1-yl-1-(8-methoxyquinolin-6-yl)pentan-1-one is sourced from PubChem (CID 158718146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).