About 7-(4-bromo-3-methylanilino)-6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one;6-(4-ethoxyphenyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one;ethyl 4-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)benzoate;2-(2-fluorophenyl)-1H-pyrrolo[3,4-c]pyridin-3-one;1-hydroxy-2-(2-methoxyethyl)-3-oxo-1H-isoindole-5-carboxylic acid;2-[(4-methoxyphenyl)methyl]-1H-pyrrolo[3,4-c]pyridin-3-one;(2R)-4-methylsulfanyl-2-(3-oxo-1H-isoindol-2-yl)butanoic acid;(2S)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetic acid
7-(4-bromo-3-methylanilino)-6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one;6-(4-ethoxyphenyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one;ethyl 4-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)benzoate;2-(2-fluorophenyl)-1H-pyrrolo[3,4-c]pyridin-3-one;1-hydroxy-2-(2-methoxyethyl)-3-oxo-1H-isoindole-5-carboxylic acid;2-[(4-methoxyphenyl)methyl]-1H-pyrrolo[3,4-c]pyridin-3-one;(2R)-4-methylsulfanyl-2-(3-oxo-1H-isoindol-2-yl)butanoic acid;(2S)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetic acid (PubChem CID 158182910) has the molecular formula C122H112BrFN14O22S
and a molecular weight of 2257.28 g/mol. Its IUPAC name is 7-(4-bromo-3-methylanilino)-6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one;6-(4-ethoxyphenyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one;ethyl 4-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)benzoate;2-(2-fluorophenyl)-1H-pyrrolo[3,4-c]pyridin-3-one;1-hydroxy-2-(2-methoxyethyl)-3-oxo-1H-isoindole-5-carboxylic acid;2-[(4-methoxyphenyl)methyl]-1H-pyrrolo[3,4-c]pyridin-3-one;(2R)-4-methylsulfanyl-2-(3-oxo-1H-isoindol-2-yl)butanoic acid;(2S)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetic acid.
Frequently Asked Questions
What is the IUPAC name of 7-(4-bromo-3-methylanilino)-6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one;6-(4-ethoxyphenyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one;ethyl 4-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)benzoate;2-(2-fluorophenyl)-1H-pyrrolo[3,4-c]pyridin-3-one;1-hydroxy-2-(2-methoxyethyl)-3-oxo-1H-isoindole-5-carboxylic acid;2-[(4-methoxyphenyl)methyl]-1H-pyrrolo[3,4-c]pyridin-3-one;(2R)-4-methylsulfanyl-2-(3-oxo-1H-isoindol-2-yl)butanoic acid;(2S)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetic acid?
The IUPAC name of 7-(4-bromo-3-methylanilino)-6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one;6-(4-ethoxyphenyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one;ethyl 4-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)benzoate;2-(2-fluorophenyl)-1H-pyrrolo[3,4-c]pyridin-3-one;1-hydroxy-2-(2-methoxyethyl)-3-oxo-1H-isoindole-5-carboxylic acid;2-[(4-methoxyphenyl)methyl]-1H-pyrrolo[3,4-c]pyridin-3-one;(2R)-4-methylsulfanyl-2-(3-oxo-1H-isoindol-2-yl)butanoic acid;(2S)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetic acid (CID 158182910) is 7-(4-bromo-3-methylanilino)-6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one;6-(4-ethoxyphenyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one;ethyl 4-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)benzoate;2-(2-fluorophenyl)-1H-pyrrolo[3,4-c]pyridin-3-one;1-hydroxy-2-(2-methoxyethyl)-3-oxo-1H-isoindole-5-carboxylic acid;2-[(4-methoxyphenyl)methyl]-1H-pyrrolo[3,4-c]pyridin-3-one;(2R)-4-methylsulfanyl-2-(3-oxo-1H-isoindol-2-yl)butanoic acid;(2S)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetic acid.
What is the SMILES notation for 7-(4-bromo-3-methylanilino)-6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one;6-(4-ethoxyphenyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one;ethyl 4-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)benzoate;2-(2-fluorophenyl)-1H-pyrrolo[3,4-c]pyridin-3-one;1-hydroxy-2-(2-methoxyethyl)-3-oxo-1H-isoindole-5-carboxylic acid;2-[(4-methoxyphenyl)methyl]-1H-pyrrolo[3,4-c]pyridin-3-one;(2R)-4-methylsulfanyl-2-(3-oxo-1H-isoindol-2-yl)butanoic acid;(2S)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetic acid?
The canonical SMILES for 7-(4-bromo-3-methylanilino)-6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one;6-(4-ethoxyphenyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one;ethyl 4-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)benzoate;2-(2-fluorophenyl)-1H-pyrrolo[3,4-c]pyridin-3-one;1-hydroxy-2-(2-methoxyethyl)-3-oxo-1H-isoindole-5-carboxylic acid;2-[(4-methoxyphenyl)methyl]-1H-pyrrolo[3,4-c]pyridin-3-one;(2R)-4-methylsulfanyl-2-(3-oxo-1H-isoindol-2-yl)butanoic acid;(2S)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetic acid is CCOC(=O)c1ccc(N2Cc3ccncc3C2=O)cc1.CCOc1ccc(N2C(=O)c3cccnc3C2Nc2ccc(Br)c(C)c2)cc1.CCOc1ccc(N2C(=O)c3cccnc3C2O)cc1.COCCN1C(=O)c2cc(C(=O)O)ccc2C1O.COc1ccc(CN2Cc3ccncc3C2=O)cc1.CSCC[C@H](C(=O)O)N1Cc2ccccc2C1=O.O=C(O)[C@H](c1ccccc1)N1Cc2ccccc2C1=O.O=C1c2cnccc2CN1c1ccccc1F.
What is the InChIKey of 7-(4-bromo-3-methylanilino)-6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one;6-(4-ethoxyphenyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one;ethyl 4-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)benzoate;2-(2-fluorophenyl)-1H-pyrrolo[3,4-c]pyridin-3-one;1-hydroxy-2-(2-methoxyethyl)-3-oxo-1H-isoindole-5-carboxylic acid;2-[(4-methoxyphenyl)methyl]-1H-pyrrolo[3,4-c]pyridin-3-one;(2R)-4-methylsulfanyl-2-(3-oxo-1H-isoindol-2-yl)butanoic acid;(2S)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetic acid?
The InChIKey is FYUULGKZNJPVON-AYAQJIIVSA-N. The full InChI is InChI=1S/C22H20BrN3O2.C16H14N2O3.C16H13NO3.C15H14N2O3.C15H14N2O2.C13H9FN2O.C13H15NO3S.C12H13NO5/c1-3-28-17-9-7-16(8-10-17)26-21(20-18(22(26)27)5-4-12-24-20)25-15-6-11-19(23)14(2)13-15;1-2-21-16(20)11-3-5-13(6-4-11)18-10-12-7-8-17-9-14(12)15(18)19;18-15-13-9-5-4-8-12(13)10-17(15)14(16(19)20)11-6-2-1-3-7-11;1-2-20-11-7-5-10(6-8-11)17-14(18)12-4-3-9-16-13(12)15(17)19;1-19-13-4-2-11(3-5-13)9-17-10-12-6-7-16-8-14(12)15(17)18;14-11-3-1-2-4-12(11)16-8-9-5-6-15-7-10(9)13(16)17;1-18-7-6-11(13(16)17)14-8-9-4-2-3-5-10(9)12(14)15;1-18-5-4-13-10(14)8-3-2-7(12(16)17)6-9(8)11(13)15/h4-13,21,25H,3H2,1-2H3;3-9H,2,10H2,1H3;1-9,14H,10H2,(H,19,20);3-9,15,19H,2H2,1H3;2-8H,9-10H2,1H3;1-7H,8H2;2-5,11H,6-8H2,1H3,(H,16,17);2-3,6,10,14H,4-5H2,1H3,(H,16,17)/t;;14-;;;;11-;/m..0...1./s1.
What are the key properties of 7-(4-bromo-3-methylanilino)-6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one;6-(4-ethoxyphenyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one;ethyl 4-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)benzoate;2-(2-fluorophenyl)-1H-pyrrolo[3,4-c]pyridin-3-one;1-hydroxy-2-(2-methoxyethyl)-3-oxo-1H-isoindole-5-carboxylic acid;2-[(4-methoxyphenyl)methyl]-1H-pyrrolo[3,4-c]pyridin-3-one;(2R)-4-methylsulfanyl-2-(3-oxo-1H-isoindol-2-yl)butanoic acid;(2S)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetic acid?
7-(4-bromo-3-methylanilino)-6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one;6-(4-ethoxyphenyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one;ethyl 4-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)benzoate;2-(2-fluorophenyl)-1H-pyrrolo[3,4-c]pyridin-3-one;1-hydroxy-2-(2-methoxyethyl)-3-oxo-1H-isoindole-5-carboxylic acid;2-[(4-methoxyphenyl)methyl]-1H-pyrrolo[3,4-c]pyridin-3-one;(2R)-4-methylsulfanyl-2-(3-oxo-1H-isoindol-2-yl)butanoic acid;(2S)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetic acid has a molecular weight of 2257.28 g/mol, XLogP of 19.29, 27 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-bromo-3-methylanilino)-6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one;6-(4-ethoxyphenyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one;ethyl 4-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)benzoate;2-(2-fluorophenyl)-1H-pyrrolo[3,4-c]pyridin-3-one;1-hydroxy-2-(2-methoxyethyl)-3-oxo-1H-isoindole-5-carboxylic acid;2-[(4-methoxyphenyl)methyl]-1H-pyrrolo[3,4-c]pyridin-3-one;(2R)-4-methylsulfanyl-2-(3-oxo-1H-isoindol-2-yl)butanoic acid;(2S)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetic acid is sourced from PubChem (CID 158182910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).