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-[5-(2-hydroxyethoxy)-4-methoxy-2-pyridinyl]pentan-1-one;N-[(3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[5-(2-hydroxyethoxy)-4-methoxy-2-pyridinyl]-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-methoxy-5-propoxy-2-pyridinyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;methane;4-methoxy-5-propoxypyridine-2-carboxylic acid
(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-[5-(2-hydroxyethoxy)-4-methoxy-2-pyridinyl]pentan-1-one;N-[(3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[5-(2-hydroxyethoxy)-4-methoxy-2-pyridinyl]-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-methoxy-5-propoxy-2-pyridinyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;methane;4-methoxy-5-propoxypyridine-2-carboxylic acid (PubChem CID 158148356) has the molecular formula C110H133Cl2F14N13O26S3
and a molecular weight of 2486.42 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-[5-(2-hydroxyethoxy)-4-methoxy-2-pyridinyl]pentan-1-one;N-[(3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[5-(2-hydroxyethoxy)-4-methoxy-2-pyridinyl]-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-methoxy-5-propoxy-2-pyridinyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;methane;4-methoxy-5-propoxypyridine-2-carboxylic acid.
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-[5-(2-hydroxyethoxy)-4-methoxy-2-pyridinyl]pentan-1-one;N-[(3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[5-(2-hydroxyethoxy)-4-methoxy-2-pyridinyl]-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-methoxy-5-propoxy-2-pyridinyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;methane;4-methoxy-5-propoxypyridine-2-carboxylic acid?
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-[5-(2-hydroxyethoxy)-4-methoxy-2-pyridinyl]pentan-1-one;N-[(3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[5-(2-hydroxyethoxy)-4-methoxy-2-pyridinyl]-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-methoxy-5-propoxy-2-pyridinyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;methane;4-methoxy-5-propoxypyridine-2-carboxylic acid (CID 158148356) 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-[5-(2-hydroxyethoxy)-4-methoxy-2-pyridinyl]pentan-1-one;N-[(3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[5-(2-hydroxyethoxy)-4-methoxy-2-pyridinyl]-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-methoxy-5-propoxy-2-pyridinyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;methane;4-methoxy-5-propoxypyridine-2-carboxylic acid.
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-[5-(2-hydroxyethoxy)-4-methoxy-2-pyridinyl]pentan-1-one;N-[(3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[5-(2-hydroxyethoxy)-4-methoxy-2-pyridinyl]-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-methoxy-5-propoxy-2-pyridinyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;methane;4-methoxy-5-propoxypyridine-2-carboxylic acid?
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-[5-(2-hydroxyethoxy)-4-methoxy-2-pyridinyl]pentan-1-one;N-[(3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[5-(2-hydroxyethoxy)-4-methoxy-2-pyridinyl]-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-methoxy-5-propoxy-2-pyridinyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;methane;4-methoxy-5-propoxypyridine-2-carboxylic acid is C.CC(C)(C)S(=O)N[C@]1(C)COc2c1cc([C@](O)(CN)C(F)(F)F)nc2Cl.CCCOc1cnc(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)cc1OC.CCCOc1cnc(C(=O)O)cc1OC.COc1cc(C(=O)CC[C@@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@@]3(C)N)C(F)(F)F)ncc1OCCO.COc1cc(C(=O)CC[C@@](O)(c2cc3c(c(Cl)n2)OC[C@@]3(C)NS(=O)C(C)(C)C)C(F)(F)F)ncc1OCCO.
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-[5-(2-hydroxyethoxy)-4-methoxy-2-pyridinyl]pentan-1-one;N-[(3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[5-(2-hydroxyethoxy)-4-methoxy-2-pyridinyl]-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-methoxy-5-propoxy-2-pyridinyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;methane;4-methoxy-5-propoxypyridine-2-carboxylic acid?
The InChIKey is FUUFTSYOHYYIGG-ISFGDADNSA-N. The full InChI is InChI=1S/C32H37F4N3O6S.C27H27F4N3O6.C25H31ClF3N3O7S.C15H21ClF3N3O3S.C10H13NO4.CH4/c1-7-14-44-25-17-37-22(16-24(25)43-6)23(40)12-13-31(41,32(34,35)36)26-15-21-28(27(38-26)19-8-10-20(33)11-9-19)45-18-30(21,5)39-46(42)29(2,3)4;1-25(32)14-40-24-17(25)11-22(34-23(24)15-3-5-16(28)6-4-15)26(37,27(29,30)31)8-7-19(36)18-12-20(38-2)21(13-33-18)39-10-9-35;1-22(2,3)40(36)32-23(4)13-39-20-14(23)10-19(31-21(20)26)24(35,25(27,28)29)7-6-16(34)15-11-17(37-5)18(12-30-15)38-9-8-33;1-12(2,3)26(24)22-13(4)7-25-10-8(13)5-9(21-11(10)16)14(23,6-20)15(17,18)19;1-3-4-15-9-6-11-7(10(12)13)5-8(9)14-2;/h8-11,15-17,39,41H,7,12-14,18H2,1-6H3;3-6,11-13,35,37H,7-10,14,32H2,1-2H3;10-12,32-33,35H,6-9,13H2,1-5H3;5,22-23H,6-7,20H2,1-4H3;5-6H,3-4H2,1-2H3,(H,12,13);1H4/t30-,31-,46?;25-,26-;23-,24-,40?;13-,14-,26?;;/m1111../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-[5-(2-hydroxyethoxy)-4-methoxy-2-pyridinyl]pentan-1-one;N-[(3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[5-(2-hydroxyethoxy)-4-methoxy-2-pyridinyl]-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-methoxy-5-propoxy-2-pyridinyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;methane;4-methoxy-5-propoxypyridine-2-carboxylic acid?
(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-[5-(2-hydroxyethoxy)-4-methoxy-2-pyridinyl]pentan-1-one;N-[(3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[5-(2-hydroxyethoxy)-4-methoxy-2-pyridinyl]-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-methoxy-5-propoxy-2-pyridinyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;methane;4-methoxy-5-propoxypyridine-2-carboxylic acid has a molecular weight of 2486.42 g/mol, XLogP of 17.69, 42 rotatable bonds, 12 hydrogen bond donors, and 35 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-[5-(2-hydroxyethoxy)-4-methoxy-2-pyridinyl]pentan-1-one;N-[(3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[5-(2-hydroxyethoxy)-4-methoxy-2-pyridinyl]-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-methoxy-5-propoxy-2-pyridinyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;methane;4-methoxy-5-propoxypyridine-2-carboxylic acid is sourced from PubChem (CID 158148356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).