About (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]pentan-1-one;2-bromoethanol;N-[(3S)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;4-(2-hydroxyethoxy)-3,5-dimethoxybenzoic acid;methyl 4-hydroxy-3,5-dimethoxybenzoate;methyl 4-(2-hydroxyethoxy)-3,5-dimethoxybenzoate
(4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]pentan-1-one;2-bromoethanol;N-[(3S)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;4-(2-hydroxyethoxy)-3,5-dimethoxybenzoic acid;methyl 4-hydroxy-3,5-dimethoxybenzoate;methyl 4-(2-hydroxyethoxy)-3,5-dimethoxybenzoate (PubChem CID 158374824) has the molecular formula C124H149BrClF11N6O41S2
and a molecular weight of 2768.03 g/mol. Its IUPAC name is (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]pentan-1-one;2-bromoethanol;N-[(3S)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;4-(2-hydroxyethoxy)-3,5-dimethoxybenzoic acid;methyl 4-hydroxy-3,5-dimethoxybenzoate;methyl 4-(2-hydroxyethoxy)-3,5-dimethoxybenzoate.
Frequently Asked Questions
What is the IUPAC name of (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]pentan-1-one;2-bromoethanol;N-[(3S)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;4-(2-hydroxyethoxy)-3,5-dimethoxybenzoic acid;methyl 4-hydroxy-3,5-dimethoxybenzoate;methyl 4-(2-hydroxyethoxy)-3,5-dimethoxybenzoate?
The IUPAC name of (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]pentan-1-one;2-bromoethanol;N-[(3S)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;4-(2-hydroxyethoxy)-3,5-dimethoxybenzoic acid;methyl 4-hydroxy-3,5-dimethoxybenzoate;methyl 4-(2-hydroxyethoxy)-3,5-dimethoxybenzoate (CID 158374824) is (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]pentan-1-one;2-bromoethanol;N-[(3S)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;4-(2-hydroxyethoxy)-3,5-dimethoxybenzoic acid;methyl 4-hydroxy-3,5-dimethoxybenzoate;methyl 4-(2-hydroxyethoxy)-3,5-dimethoxybenzoate.
What is the SMILES notation for (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]pentan-1-one;2-bromoethanol;N-[(3S)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;4-(2-hydroxyethoxy)-3,5-dimethoxybenzoic acid;methyl 4-hydroxy-3,5-dimethoxybenzoate;methyl 4-(2-hydroxyethoxy)-3,5-dimethoxybenzoate?
The canonical SMILES for (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]pentan-1-one;2-bromoethanol;N-[(3S)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;4-(2-hydroxyethoxy)-3,5-dimethoxybenzoic acid;methyl 4-hydroxy-3,5-dimethoxybenzoate;methyl 4-(2-hydroxyethoxy)-3,5-dimethoxybenzoate is COC(=O)c1cc(OC)c(O)c(OC)c1.COC(=O)c1cc(OC)c(OCCO)c(OC)c1.COc1cc(C(=O)CC[C@@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@@]3(C)N)C(F)(F)F)cc(OC)c1OCCO.COc1cc(C(=O)CC[C@@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@@]3(C)NS(=O)C(C)(C)C)C(F)(F)F)cc(OC)c1OCCO.COc1cc(C(=O)CC[C@@](O)(c2cc3c(c(Cl)n2)OC[C@@]3(C)NS(=O)C(C)(C)C)C(F)(F)F)cc(OC)c1OCCO.COc1cc(C(=O)O)cc(OC)c1OCCO.OCCBr.
What is the InChIKey of (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]pentan-1-one;2-bromoethanol;N-[(3S)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;4-(2-hydroxyethoxy)-3,5-dimethoxybenzoic acid;methyl 4-hydroxy-3,5-dimethoxybenzoate;methyl 4-(2-hydroxyethoxy)-3,5-dimethoxybenzoate?
The InChIKey is GVBFGJFOASHZTG-LULOTDDCSA-N. The full InChI is InChI=1S/C33H38F4N2O8S.C29H30F4N2O7.C27H34ClF3N2O8S.C12H16O6.C11H14O6.C10H12O5.C2H5BrO/c1-30(2,3)48(43)39-31(4)18-47-28-22(31)17-26(38-27(28)19-7-9-21(34)10-8-19)32(42,33(35,36)37)12-11-23(41)20-15-24(44-5)29(46-14-13-40)25(16-20)45-6;1-27(34)15-42-25-19(27)14-23(35-24(25)16-4-6-18(30)7-5-16)28(38,29(31,32)33)9-8-20(37)17-12-21(39-2)26(41-11-10-36)22(13-17)40-3;1-24(2,3)42(37)33-25(4)14-41-21-16(25)13-20(32-23(21)28)26(36,27(29,30)31)8-7-17(35)15-11-18(38-5)22(40-10-9-34)19(12-15)39-6;1-15-9-6-8(12(14)17-3)7-10(16-2)11(9)18-5-4-13;1-15-8-5-7(11(13)14)6-9(16-2)10(8)17-4-3-12;1-13-7-4-6(10(12)15-3)5-8(14-2)9(7)11;3-1-2-4/h7-10,15-17,39-40,42H,11-14,18H2,1-6H3;4-7,12-14,36,38H,8-11,15,34H2,1-3H3;11-13,33-34,36H,7-10,14H2,1-6H3;6-7,13H,4-5H2,1-3H3;5-6,12H,3-4H2,1-2H3,(H,13,14);4-5,11H,1-3H3;4H,1-2H2/t31-,32-,48?;27-,28-;25-,26-,42?;;;;/m111..../s1.
What are the key properties of (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]pentan-1-one;2-bromoethanol;N-[(3S)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;4-(2-hydroxyethoxy)-3,5-dimethoxybenzoic acid;methyl 4-hydroxy-3,5-dimethoxybenzoate;methyl 4-(2-hydroxyethoxy)-3,5-dimethoxybenzoate?
(4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]pentan-1-one;2-bromoethanol;N-[(3S)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;4-(2-hydroxyethoxy)-3,5-dimethoxybenzoic acid;methyl 4-hydroxy-3,5-dimethoxybenzoate;methyl 4-(2-hydroxyethoxy)-3,5-dimethoxybenzoate has a molecular weight of 2768.03 g/mol, XLogP of 17.00, 52 rotatable bonds, 14 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]pentan-1-one;2-bromoethanol;N-[(3S)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;4-(2-hydroxyethoxy)-3,5-dimethoxybenzoic acid;methyl 4-hydroxy-3,5-dimethoxybenzoate;methyl 4-(2-hydroxyethoxy)-3,5-dimethoxybenzoate is sourced from PubChem (CID 158374824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).