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-[2-[[4-(6-fluoro-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-2-yl)phenyl]methyl-methylamino]ethoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[3-methoxy-5-methyl-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;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

C182H172F2N32O28 — CID 165097235

IUPAC2-[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-[2-[[4-(6-fluoro-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-2-yl)phenyl]methyl-methylamino]ethoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[3-methoxy-5-methyl-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;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
SMILESC=C1NCCc2c(-c3ccc(CN(C)C(=O)COc4c(OC)cc(/N=N/c5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)cc4OC)cc3)[nH]c3cc(F)cc1c23.C=C1NCCc2c(-c3ccc(CN(C)CCOc4c(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(C)c1OCC(=O)CCC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(C)ncnc32)C1.Cc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2[C@@H]1CCCN(C(=O)CCC(=O)COc2ccc(/N=N/c3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2)C1
InChIInChI=1S/C49H47N9O8.C47H43N9O7.C43H40FN7O7.C43H42FN7O6/c1-29-23-32(53-54-39-13-7-12-37-38(39)26-57(49(37)63)40-19-20-42(60)52-48(40)62)24-41(64-3)46(29)65-27-34(59)16-21-43(61)56-22-8-9-33(25-56)58-47-44(30(2)50-28-51-47)45(55-58)31-14-17-36(18-15-31)66-35-10-5-4-6-11-35;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;1-24-31-18-27(44)19-34-39(31)30(14-15-45-24)40(46-34)26-10-8-25(9-11-26)22-50(2)16-17-57-41-36(55-3)20-28(21-37(41)56-4)48-49-33-7-5-6-29-32(33)23-51(43(29)54)35-12-13-38(52)47-42(35)53/h4-7,10-15,17-18,23-24,28,33,40H,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);5-11,18-21,35,45-46H,1,12-17,22-23H2,2-4H3,(H,47,52,53)/b54-53+;52-51+;2*49-48+/t33-,40?;32-,40?;;/m11../s1
InChIKeyXSDZQARJOINTAG-AECJRMEOSA-N
MW3293.57 g/mol
LogP28.16
Rot. Bonds50

About 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-[2-[[4-(6-fluoro-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-2-yl)phenyl]methyl-methylamino]ethoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[3-methoxy-5-methyl-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;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-[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-[2-[[4-(6-fluoro-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-2-yl)phenyl]methyl-methylamino]ethoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[3-methoxy-5-methyl-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;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 165097235) has the molecular formula C182H172F2N32O28 and a molecular weight of 3293.57 g/mol. Its IUPAC name is 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-[2-[[4-(6-fluoro-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-2-yl)phenyl]methyl-methylamino]ethoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[3-methoxy-5-methyl-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;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.

Molecular Properties

Compound Name2-[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-[2-[[4-(6-fluoro-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-2-yl)phenyl]methyl-methylamino]ethoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[3-methoxy-5-methyl-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;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 CID165097235
Molecular FormulaC182H172F2N32O28
Molecular Weight3293.57 g/mol
Exact Mass3291.30
IUPAC Name2-[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-[2-[[4-(6-fluoro-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-2-yl)phenyl]methyl-methylamino]ethoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[3-methoxy-5-methyl-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;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
SMILESC=C1NCCc2c(-c3ccc(CN(C)C(=O)COc4c(OC)cc(/N=N/c5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)cc4OC)cc3)[nH]c3cc(F)cc1c23.C=C1NCCc2c(-c3ccc(CN(C)CCOc4c(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(C)c1OCC(=O)CCC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(C)ncnc32)C1.Cc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2[C@@H]1CCCN(C(=O)CCC(=O)COc2ccc(/N=N/c3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2)C1
InChIInChI=1S/C49H47N9O8.C47H43N9O7.C43H40FN7O7.C43H42FN7O6/c1-29-23-32(53-54-39-13-7-12-37-38(39)26-57(49(37)63)40-19-20-42(60)52-48(40)62)24-41(64-3)46(29)65-27-34(59)16-21-43(61)56-22-8-9-33(25-56)58-47-44(30(2)50-28-51-47)45(55-58)31-14-17-36(18-15-31)66-35-10-5-4-6-11-35;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;1-24-31-18-27(44)19-34-39(31)30(14-15-45-24)40(46-34)26-10-8-25(9-11-26)22-50(2)16-17-57-41-36(55-3)20-28(21-37(41)56-4)48-49-33-7-5-6-29-32(33)23-51(43(29)54)35-12-13-38(52)47-42(35)53/h4-7,10-15,17-18,23-24,28,33,40H,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);5-11,18-21,35,45-46H,1,12-17,22-23H2,2-4H3,(H,47,52,53)/b54-53+;52-51+;2*49-48+/t33-,40?;32-,40?;;/m11../s1
InChIKeyXSDZQARJOINTAG-AECJRMEOSA-N
XLogP28.16
TPSA707.48 Ų
H-Bond Donors8
H-Bond Acceptors47
Rotatable Bonds50
Heavy Atoms244
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003293.57
LogP ≤ 528.16
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 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-[2-[[4-(6-fluoro-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-2-yl)phenyl]methyl-methylamino]ethoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[3-methoxy-5-methyl-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;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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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-[2-[[4-(6-fluoro-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-2-yl)phenyl]methyl-methylamino]ethoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[3-methoxy-5-methyl-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;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-[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-[2-[[4-(6-fluoro-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-2-yl)phenyl]methyl-methylamino]ethoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[3-methoxy-5-methyl-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;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 165097235) is 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-[2-[[4-(6-fluoro-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-2-yl)phenyl]methyl-methylamino]ethoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[3-methoxy-5-methyl-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;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-[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-[2-[[4-(6-fluoro-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-2-yl)phenyl]methyl-methylamino]ethoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[3-methoxy-5-methyl-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;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-[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-[2-[[4-(6-fluoro-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-2-yl)phenyl]methyl-methylamino]ethoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[3-methoxy-5-methyl-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;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.C=C1NCCc2c(-c3ccc(CN(C)CCOc4c(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(C)c1OCC(=O)CCC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(C)ncnc32)C1.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-[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-[2-[[4-(6-fluoro-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-2-yl)phenyl]methyl-methylamino]ethoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[3-methoxy-5-methyl-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;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 XSDZQARJOINTAG-AECJRMEOSA-N. The full InChI is InChI=1S/C49H47N9O8.C47H43N9O7.C43H40FN7O7.C43H42FN7O6/c1-29-23-32(53-54-39-13-7-12-37-38(39)26-57(49(37)63)40-19-20-42(60)52-48(40)62)24-41(64-3)46(29)65-27-34(59)16-21-43(61)56-22-8-9-33(25-56)58-47-44(30(2)50-28-51-47)45(55-58)31-14-17-36(18-15-31)66-35-10-5-4-6-11-35;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;1-24-31-18-27(44)19-34-39(31)30(14-15-45-24)40(46-34)26-10-8-25(9-11-26)22-50(2)16-17-57-41-36(55-3)20-28(21-37(41)56-4)48-49-33-7-5-6-29-32(33)23-51(43(29)54)35-12-13-38(52)47-42(35)53/h4-7,10-15,17-18,23-24,28,33,40H,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);5-11,18-21,35,45-46H,1,12-17,22-23H2,2-4H3,(H,47,52,53)/b54-53+;52-51+;2*49-48+/t33-,40?;32-,40?;;/m11../s1.
What are the key properties of 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-[2-[[4-(6-fluoro-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-2-yl)phenyl]methyl-methylamino]ethoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[3-methoxy-5-methyl-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;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-[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-[2-[[4-(6-fluoro-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-2-yl)phenyl]methyl-methylamino]ethoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[3-methoxy-5-methyl-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;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 3293.57 g/mol, XLogP of 28.16, 50 rotatable bonds, 8 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 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-[2-[[4-(6-fluoro-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-2-yl)phenyl]methyl-methylamino]ethoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[3-methoxy-5-methyl-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;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 165097235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).