About 4-[3-amino-7-(4-methylphenyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[(4S)-4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[4-(2-aminopropan-2-yl)-6-(6-methyl-3-pyridinyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(3-hydroxy-1-methylcyclobutyl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-4-hydroxypentan-1-one
4-[3-amino-7-(4-methylphenyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[(4S)-4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[4-(2-aminopropan-2-yl)-6-(6-methyl-3-pyridinyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(3-hydroxy-1-methylcyclobutyl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-4-hydroxypentan-1-one (PubChem CID 157411608) has the molecular formula C152H167F14N11O24
and a molecular weight of 2798.03 g/mol. Its IUPAC name is 4-[3-amino-7-(4-methylphenyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[(4S)-4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[4-(2-aminopropan-2-yl)-6-(6-methyl-3-pyridinyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(3-hydroxy-1-methylcyclobutyl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-4-hydroxypentan-1-one.
Frequently Asked Questions
What is the IUPAC name of 4-[3-amino-7-(4-methylphenyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[(4S)-4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[4-(2-aminopropan-2-yl)-6-(6-methyl-3-pyridinyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(3-hydroxy-1-methylcyclobutyl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-4-hydroxypentan-1-one?
The IUPAC name of 4-[3-amino-7-(4-methylphenyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[(4S)-4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[4-(2-aminopropan-2-yl)-6-(6-methyl-3-pyridinyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(3-hydroxy-1-methylcyclobutyl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-4-hydroxypentan-1-one (CID 157411608) is 4-[3-amino-7-(4-methylphenyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[(4S)-4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[4-(2-aminopropan-2-yl)-6-(6-methyl-3-pyridinyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(3-hydroxy-1-methylcyclobutyl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-4-hydroxypentan-1-one.
What is the SMILES notation for 4-[3-amino-7-(4-methylphenyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[(4S)-4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[4-(2-aminopropan-2-yl)-6-(6-methyl-3-pyridinyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(3-hydroxy-1-methylcyclobutyl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-4-hydroxypentan-1-one?
The canonical SMILES for 4-[3-amino-7-(4-methylphenyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[(4S)-4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[4-(2-aminopropan-2-yl)-6-(6-methyl-3-pyridinyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(3-hydroxy-1-methylcyclobutyl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-4-hydroxypentan-1-one is COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(C)cc4)n2)OCC3(N)C(C)C)ccc1OCCO.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)N)cc(-c3ccc(C)nc3)n2)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(C3(C)CC(O)C3)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(C3(C)CCN3)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CC[C@](O)(c2cc(C(C)(C)N)cc(-c3ccc(C)cc3)n2)C(F)(F)F)ccc1OCC(N)=O.
What is the InChIKey of 4-[3-amino-7-(4-methylphenyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[(4S)-4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[4-(2-aminopropan-2-yl)-6-(6-methyl-3-pyridinyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(3-hydroxy-1-methylcyclobutyl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-4-hydroxypentan-1-one?
The InChIKey is BOIUVUKIGUOTFW-FYLDUALWSA-N. The full InChI is InChI=1S/C32H33F4NO5.C31H32F4N2O4.C31H38N2O6.C29H32F3N3O5.C29H32F3N3O4/c1-18-12-19(4-8-24(18)33)25-14-21(30(2)16-22(38)17-30)15-29(37-25)31(40,32(34,35)36)11-10-26(39)20-5-9-27(28(13-20)41-3)42-23-6-7-23;1-18-14-19(4-8-23(18)32)24-16-21(29(2)12-13-36-29)17-28(37-24)30(39,31(33,34)35)11-10-25(38)20-5-9-26(27(15-20)40-3)41-22-6-7-22;1-19(2)31(32)18-39-29-23(31)17-27(33-28(29)21-8-6-20(3)7-9-21)30(4,36)13-12-24(35)22-10-11-25(38-15-14-34)26(16-22)37-5;1-17-5-7-18(8-6-17)21-14-20(27(2,3)34)15-25(35-21)28(38,29(30,31)32)12-11-22(36)19-9-10-23(24(13-19)39-4)40-16-26(33)37;1-17-5-6-19(16-34-17)22-14-20(27(2,3)33)15-26(35-22)28(37,29(30,31)32)12-11-23(36)18-7-10-24(25(13-18)38-4)39-21-8-9-21/h4-5,8-9,12-15,22-23,38,40H,6-7,10-11,16-17H2,1-3H3;4-5,8-9,14-17,22,36,39H,6-7,10-13H2,1-3H3;6-11,16-17,19,34,36H,12-15,18,32H2,1-5H3;5-10,13-15,38H,11-12,16,34H2,1-4H3,(H2,33,37);5-7,10,13-16,21,37H,8-9,11-12,33H2,1-4H3/t;;;28-;/m...0./s1.
What are the key properties of 4-[3-amino-7-(4-methylphenyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[(4S)-4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[4-(2-aminopropan-2-yl)-6-(6-methyl-3-pyridinyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(3-hydroxy-1-methylcyclobutyl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-4-hydroxypentan-1-one?
4-[3-amino-7-(4-methylphenyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[(4S)-4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[4-(2-aminopropan-2-yl)-6-(6-methyl-3-pyridinyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(3-hydroxy-1-methylcyclobutyl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-4-hydroxypentan-1-one has a molecular weight of 2798.03 g/mol, XLogP of 27.59, 52 rotatable bonds, 12 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-7-(4-methylphenyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[(4S)-4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[4-(2-aminopropan-2-yl)-6-(6-methyl-3-pyridinyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(3-hydroxy-1-methylcyclobutyl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-4-hydroxypentan-1-one is sourced from PubChem (CID 157411608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).