About 2-[2-[[(3R,5R,6S)-1-[(1S)-2-tert-butylsulfonyl-1-cyclopropylethyl]-5-(3-chlorophenyl)-6-(3-fluoro-4-methylphenyl)-3-methyl-2-oxopiperidin-3-yl]methyl]-1,3-thiazol-5-yl]-N-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethylphenoxy]propyl]acetamide;3-[7-[[3,5-dimethoxy-4-[5-[(3R)-3-[4-methyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2,5-dioxopentoxy]phenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-N-[[4-(6-fluoro-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-2-yl)phenyl]methyl]-N-methylacetamide;3-[7-[[4-[5-[(3R)-3-[4-methyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2,5-dioxopentoxy]phenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
2-[2-[[(3R,5R,6S)-1-[(1S)-2-tert-butylsulfonyl-1-cyclopropylethyl]-5-(3-chlorophenyl)-6-(3-fluoro-4-methylphenyl)-3-methyl-2-oxopiperidin-3-yl]methyl]-1,3-thiazol-5-yl]-N-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethylphenoxy]propyl]acetamide;3-[7-[[3,5-dimethoxy-4-[5-[(3R)-3-[4-methyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2,5-dioxopentoxy]phenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-N-[[4-(6-fluoro-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-2-yl)phenyl]methyl]-N-methylacetamide;3-[7-[[4-[5-[(3R)-3-[4-methyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2,5-dioxopentoxy]phenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 165026560) has the molecular formula C197H195ClF2N32O31S2
and a molecular weight of 3644.50 g/mol. Its IUPAC name is 2-[2-[[(3R,5R,6S)-1-[(1S)-2-tert-butylsulfonyl-1-cyclopropylethyl]-5-(3-chlorophenyl)-6-(3-fluoro-4-methylphenyl)-3-methyl-2-oxopiperidin-3-yl]methyl]-1,3-thiazol-5-yl]-N-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethylphenoxy]propyl]acetamide;3-[7-[[3,5-dimethoxy-4-[5-[(3R)-3-[4-methyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2,5-dioxopentoxy]phenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-N-[[4-(6-fluoro-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-2-yl)phenyl]methyl]-N-methylacetamide;3-[7-[[4-[5-[(3R)-3-[4-methyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2,5-dioxopentoxy]phenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
Frequently Asked Questions
What is the IUPAC name of 2-[2-[[(3R,5R,6S)-1-[(1S)-2-tert-butylsulfonyl-1-cyclopropylethyl]-5-(3-chlorophenyl)-6-(3-fluoro-4-methylphenyl)-3-methyl-2-oxopiperidin-3-yl]methyl]-1,3-thiazol-5-yl]-N-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethylphenoxy]propyl]acetamide;3-[7-[[3,5-dimethoxy-4-[5-[(3R)-3-[4-methyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2,5-dioxopentoxy]phenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-N-[[4-(6-fluoro-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-2-yl)phenyl]methyl]-N-methylacetamide;3-[7-[[4-[5-[(3R)-3-[4-methyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2,5-dioxopentoxy]phenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 2-[2-[[(3R,5R,6S)-1-[(1S)-2-tert-butylsulfonyl-1-cyclopropylethyl]-5-(3-chlorophenyl)-6-(3-fluoro-4-methylphenyl)-3-methyl-2-oxopiperidin-3-yl]methyl]-1,3-thiazol-5-yl]-N-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethylphenoxy]propyl]acetamide;3-[7-[[3,5-dimethoxy-4-[5-[(3R)-3-[4-methyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2,5-dioxopentoxy]phenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-N-[[4-(6-fluoro-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-2-yl)phenyl]methyl]-N-methylacetamide;3-[7-[[4-[5-[(3R)-3-[4-methyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2,5-dioxopentoxy]phenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 165026560) is 2-[2-[[(3R,5R,6S)-1-[(1S)-2-tert-butylsulfonyl-1-cyclopropylethyl]-5-(3-chlorophenyl)-6-(3-fluoro-4-methylphenyl)-3-methyl-2-oxopiperidin-3-yl]methyl]-1,3-thiazol-5-yl]-N-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethylphenoxy]propyl]acetamide;3-[7-[[3,5-dimethoxy-4-[5-[(3R)-3-[4-methyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2,5-dioxopentoxy]phenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-N-[[4-(6-fluoro-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-2-yl)phenyl]methyl]-N-methylacetamide;3-[7-[[4-[5-[(3R)-3-[4-methyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2,5-dioxopentoxy]phenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 2-[2-[[(3R,5R,6S)-1-[(1S)-2-tert-butylsulfonyl-1-cyclopropylethyl]-5-(3-chlorophenyl)-6-(3-fluoro-4-methylphenyl)-3-methyl-2-oxopiperidin-3-yl]methyl]-1,3-thiazol-5-yl]-N-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethylphenoxy]propyl]acetamide;3-[7-[[3,5-dimethoxy-4-[5-[(3R)-3-[4-methyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2,5-dioxopentoxy]phenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-N-[[4-(6-fluoro-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-2-yl)phenyl]methyl]-N-methylacetamide;3-[7-[[4-[5-[(3R)-3-[4-methyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2,5-dioxopentoxy]phenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 2-[2-[[(3R,5R,6S)-1-[(1S)-2-tert-butylsulfonyl-1-cyclopropylethyl]-5-(3-chlorophenyl)-6-(3-fluoro-4-methylphenyl)-3-methyl-2-oxopiperidin-3-yl]methyl]-1,3-thiazol-5-yl]-N-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethylphenoxy]propyl]acetamide;3-[7-[[3,5-dimethoxy-4-[5-[(3R)-3-[4-methyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2,5-dioxopentoxy]phenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-N-[[4-(6-fluoro-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-2-yl)phenyl]methyl]-N-methylacetamide;3-[7-[[4-[5-[(3R)-3-[4-methyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2,5-dioxopentoxy]phenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is C=C1NCCc2c(-c3ccc(CN(C)C(=O)COc4c(OC)cc(/N=N/c5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)cc4OC)cc3)[nH]c3cc(F)cc1c23.COc1cc(/N=N/c2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)cc(OC)c1OCC(=O)CCC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(C)ncnc32)C1.Cc1ccc([C@@H]2[C@@H](c3cccc(Cl)c3)C[C@](C)(Cc3ncc(CC(=O)NCCCOc4c(C)cc(/N=N/c5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)cc4C)s3)C(=O)N2[C@H](CS(=O)(=O)C(C)(C)C)C2CC2)cc1F.Cc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2[C@@H]1CCCN(C(=O)CCC(=O)COc2ccc(/N=N/c3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2)C1.
What is the InChIKey of 2-[2-[[(3R,5R,6S)-1-[(1S)-2-tert-butylsulfonyl-1-cyclopropylethyl]-5-(3-chlorophenyl)-6-(3-fluoro-4-methylphenyl)-3-methyl-2-oxopiperidin-3-yl]methyl]-1,3-thiazol-5-yl]-N-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethylphenoxy]propyl]acetamide;3-[7-[[3,5-dimethoxy-4-[5-[(3R)-3-[4-methyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2,5-dioxopentoxy]phenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-N-[[4-(6-fluoro-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-2-yl)phenyl]methyl]-N-methylacetamide;3-[7-[[4-[5-[(3R)-3-[4-methyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2,5-dioxopentoxy]phenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is LZBUDERAHSZJRG-HXEZXHSISA-N. The full InChI is InChI=1S/C58H65ClFN7O8S2.C49H47N9O9.C47H43N9O7.C43H40FN7O7/c1-33-15-16-38(26-45(33)60)52-43(37-11-8-12-39(59)25-37)28-58(7,56(72)67(52)48(36-17-18-36)32-77(73,74)57(4,5)6)29-51-62-30-41(76-51)27-50(69)61-21-10-22-75-53-34(2)23-40(24-35(53)3)64-65-46-14-9-13-42-44(46)31-66(55(42)71)47-19-20-49(68)63-54(47)70;1-29-44-45(30-14-17-35(18-15-30)67-34-10-5-4-6-11-34)55-58(47(44)51-28-50-29)32-9-8-22-56(25-32)43(61)21-16-33(59)27-66-46-40(64-2)23-31(24-41(46)65-3)53-54-38-13-7-12-36-37(38)26-57(49(36)63)39-19-20-42(60)52-48(39)62;1-29-43-44(30-12-17-36(18-13-30)63-35-8-3-2-4-9-35)53-56(45(43)49-28-48-29)32-7-6-24-54(25-32)42(59)23-16-33(57)27-62-34-19-14-31(15-20-34)51-52-39-11-5-10-37-38(39)26-55(47(37)61)40-21-22-41(58)50-46(40)60;1-23-30-16-26(44)17-33-39(30)29(14-15-45-23)40(46-33)25-10-8-24(9-11-25)20-50(2)38(53)22-58-41-35(56-3)18-27(19-36(41)57-4)48-49-32-7-5-6-28-31(32)21-51(43(28)55)34-12-13-37(52)47-42(34)54/h8-9,11-16,23-26,30,36,43,47-48,52H,10,17-22,27-29,31-32H2,1-7H3,(H,61,69)(H,63,68,70);4-7,10-15,17-18,23-24,28,32,39H,8-9,16,19-22,25-27H2,1-3H3,(H,52,60,62);2-5,8-15,17-20,28,32,40H,6-7,16,21-27H2,1H3,(H,50,58,60);5-11,16-19,34,45-46H,1,12-15,20-22H2,2-4H3,(H,47,52,54)/b65-64+;54-53+;52-51+;49-48+/t43-,47?,48-,52-,58-;32-,39?;32-,40?;/m111./s1.
What are the key properties of 2-[2-[[(3R,5R,6S)-1-[(1S)-2-tert-butylsulfonyl-1-cyclopropylethyl]-5-(3-chlorophenyl)-6-(3-fluoro-4-methylphenyl)-3-methyl-2-oxopiperidin-3-yl]methyl]-1,3-thiazol-5-yl]-N-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethylphenoxy]propyl]acetamide;3-[7-[[3,5-dimethoxy-4-[5-[(3R)-3-[4-methyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2,5-dioxopentoxy]phenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-N-[[4-(6-fluoro-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-2-yl)phenyl]methyl]-N-methylacetamide;3-[7-[[4-[5-[(3R)-3-[4-methyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2,5-dioxopentoxy]phenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
2-[2-[[(3R,5R,6S)-1-[(1S)-2-tert-butylsulfonyl-1-cyclopropylethyl]-5-(3-chlorophenyl)-6-(3-fluoro-4-methylphenyl)-3-methyl-2-oxopiperidin-3-yl]methyl]-1,3-thiazol-5-yl]-N-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethylphenoxy]propyl]acetamide;3-[7-[[3,5-dimethoxy-4-[5-[(3R)-3-[4-methyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2,5-dioxopentoxy]phenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-N-[[4-(6-fluoro-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-2-yl)phenyl]methyl]-N-methylacetamide;3-[7-[[4-[5-[(3R)-3-[4-methyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2,5-dioxopentoxy]phenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 3644.50 g/mol, XLogP of 31.53, 57 rotatable bonds, 7 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(3R,5R,6S)-1-[(1S)-2-tert-butylsulfonyl-1-cyclopropylethyl]-5-(3-chlorophenyl)-6-(3-fluoro-4-methylphenyl)-3-methyl-2-oxopiperidin-3-yl]methyl]-1,3-thiazol-5-yl]-N-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethylphenoxy]propyl]acetamide;3-[7-[[3,5-dimethoxy-4-[5-[(3R)-3-[4-methyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2,5-dioxopentoxy]phenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-N-[[4-(6-fluoro-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-2-yl)phenyl]methyl]-N-methylacetamide;3-[7-[[4-[5-[(3R)-3-[4-methyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2,5-dioxopentoxy]phenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 165026560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).