About 4-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(3-chloro-4-ethoxyphenyl)-4-hydroxypentan-1-one;4-[3-amino-3-methyl-7-(6-methyl-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;(3S)-3-[4-[4-[4-(1-amino-2-methylpropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-methylpropanoate;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one
4-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(3-chloro-4-ethoxyphenyl)-4-hydroxypentan-1-one;4-[3-amino-3-methyl-7-(6-methyl-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;(3S)-3-[4-[4-[4-(1-amino-2-methylpropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-methylpropanoate;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one (PubChem CID 159129596) has the molecular formula C180H205ClF14N14O31
and a molecular weight of 3362.11 g/mol. Its IUPAC name is 4-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(3-chloro-4-ethoxyphenyl)-4-hydroxypentan-1-one;4-[3-amino-3-methyl-7-(6-methyl-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;(3S)-3-[4-[4-[4-(1-amino-2-methylpropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-methylpropanoate;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one.
Frequently Asked Questions
What is the IUPAC name of 4-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(3-chloro-4-ethoxyphenyl)-4-hydroxypentan-1-one;4-[3-amino-3-methyl-7-(6-methyl-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;(3S)-3-[4-[4-[4-(1-amino-2-methylpropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-methylpropanoate;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one?
The IUPAC name of 4-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(3-chloro-4-ethoxyphenyl)-4-hydroxypentan-1-one;4-[3-amino-3-methyl-7-(6-methyl-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;(3S)-3-[4-[4-[4-(1-amino-2-methylpropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-methylpropanoate;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one (CID 159129596) is 4-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(3-chloro-4-ethoxyphenyl)-4-hydroxypentan-1-one;4-[3-amino-3-methyl-7-(6-methyl-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;(3S)-3-[4-[4-[4-(1-amino-2-methylpropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-methylpropanoate;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one.
What is the SMILES notation for 4-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(3-chloro-4-ethoxyphenyl)-4-hydroxypentan-1-one;4-[3-amino-3-methyl-7-(6-methyl-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;(3S)-3-[4-[4-[4-(1-amino-2-methylpropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-methylpropanoate;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one?
The canonical SMILES for 4-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(3-chloro-4-ethoxyphenyl)-4-hydroxypentan-1-one;4-[3-amino-3-methyl-7-(6-methyl-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;(3S)-3-[4-[4-[4-(1-amino-2-methylpropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-methylpropanoate;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one is CCOc1ccc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)N)cc1Cl.CNC(C)(C)c1cc(-c2ccc(F)c(C)c2)nc(C(O)(CCC(=O)c2ccc(OCCO)c(OC)c2)C(F)(F)F)c1.COc1cc(C(=O)CCC(C)(O)c2cc(C(C)(C)CN)cc(-c3ccc(F)c(C)c3)n2)ccc1O[C@H]1CCNC1=O.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(C)nc4)n2)OCC3(C)N)ccc1OCCO.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)N)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OCCO.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)N)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OCCOC(=O)C(C)C.
What is the InChIKey of 4-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(3-chloro-4-ethoxyphenyl)-4-hydroxypentan-1-one;4-[3-amino-3-methyl-7-(6-methyl-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;(3S)-3-[4-[4-[4-(1-amino-2-methylpropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-methylpropanoate;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one?
The InChIKey is KGSDZASWOMEOQS-PTVCZXNISA-N. The full InChI is InChI=1S/C33H38F4N2O6.C32H38FN3O5.C30H34F4N2O5.C29H32F4N2O5.C28H30ClFN2O4.C28H33N3O6/c1-19(2)30(41)45-14-13-44-27-10-8-22(16-28(27)43-6)26(40)11-12-32(42,33(35,36)37)29-18-23(31(4,5)38)17-25(39-29)21-7-9-24(34)20(3)15-21;1-19-14-20(6-8-23(19)33)24-16-22(31(2,3)18-34)17-29(36-24)32(4,39)12-10-25(37)21-7-9-26(28(15-21)40-5)41-27-11-13-35-30(27)38;1-18-14-19(6-8-22(18)31)23-16-21(28(2,3)35-4)17-27(36-23)29(39,30(32,33)34)11-10-24(38)20-7-9-25(41-13-12-37)26(15-20)40-5;1-17-13-18(5-7-21(17)30)22-15-20(27(2,3)34)16-26(35-22)28(38,29(31,32)33)10-9-23(37)19-6-8-24(40-12-11-36)25(14-19)39-4;1-5-35-23-9-7-17(13-20(23)29)22(33)10-11-28(4,34)24-14-19-26(36-15-27(19,3)31)25(32-24)18-6-8-21(30)16(2)12-18;1-17-5-6-19(15-30-17)25-26-20(27(2,29)16-37-26)14-24(31-25)28(3,34)10-9-21(33)18-7-8-22(36-12-11-32)23(13-18)35-4/h7-10,15-19,42H,11-14,38H2,1-6H3;6-9,14-17,27,39H,10-13,18,34H2,1-5H3,(H,35,38);6-9,14-17,35,37,39H,10-13H2,1-5H3;5-8,13-16,36,38H,9-12,34H2,1-4H3;6-9,12-14,34H,5,10-11,15,31H2,1-4H3;5-8,13-15,32,34H,9-12,16,29H2,1-4H3/t;27-,32?;;;;/m.0..../s1.
What are the key properties of 4-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(3-chloro-4-ethoxyphenyl)-4-hydroxypentan-1-one;4-[3-amino-3-methyl-7-(6-methyl-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;(3S)-3-[4-[4-[4-(1-amino-2-methylpropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-methylpropanoate;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one?
4-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(3-chloro-4-ethoxyphenyl)-4-hydroxypentan-1-one;4-[3-amino-3-methyl-7-(6-methyl-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;(3S)-3-[4-[4-[4-(1-amino-2-methylpropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-methylpropanoate;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one has a molecular weight of 3362.11 g/mol, XLogP of 30.55, 65 rotatable bonds, 16 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(3-chloro-4-ethoxyphenyl)-4-hydroxypentan-1-one;4-[3-amino-3-methyl-7-(6-methyl-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;(3S)-3-[4-[4-[4-(1-amino-2-methylpropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-methylpropanoate;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one is sourced from PubChem (CID 159129596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).