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-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

C154H155ClFN25O23S2 — CID 165038276

IUPAC2-[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-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
SMILESCOc1cc(/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.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
InChIInChI=1S/C58H65ClFN7O8S2.C49H47N9O8.C47H43N9O7/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;1-29-23-32(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/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);4-7,10-15,17-18,23-24,28,33,40H,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)/b65-64+;54-53+;52-51+/t43-,47?,48-,52-,58-;33-,40?;32-,40?/m111/s1
InChIKeyNSLGEAVSIHEMIU-IQKINRCLSA-N
MW2842.67 g/mol
LogP25.50
Rot. Bonds45

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-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-[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-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 165038276) has the molecular formula C154H155ClFN25O23S2 and a molecular weight of 2842.67 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-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-[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-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 CID165038276
Molecular FormulaC154H155ClFN25O23S2
Molecular Weight2842.67 g/mol
Exact Mass2840.08
IUPAC Name2-[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-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
SMILESCOc1cc(/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.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
InChIInChI=1S/C58H65ClFN7O8S2.C49H47N9O8.C47H43N9O7/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;1-29-23-32(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/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);4-7,10-15,17-18,23-24,28,33,40H,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)/b65-64+;54-53+;52-51+/t43-,47?,48-,52-,58-;33-,40?;32-,40?/m111/s1
InChIKeyNSLGEAVSIHEMIU-IQKINRCLSA-N
XLogP25.50
TPSA587.38 Ų
H-Bond Donors4
H-Bond Acceptors39
Rotatable Bonds45
Heavy Atoms206
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002842.67
LogP ≤ 525.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

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

Analyze 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-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

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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-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-[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-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 165038276) 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-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-[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-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-[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-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 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.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-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 NSLGEAVSIHEMIU-IQKINRCLSA-N. The full InChI is InChI=1S/C58H65ClFN7O8S2.C49H47N9O8.C47H43N9O7/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;1-29-23-32(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/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);4-7,10-15,17-18,23-24,28,33,40H,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)/b65-64+;54-53+;52-51+/t43-,47?,48-,52-,58-;33-,40?;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-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-[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-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 2842.67 g/mol, XLogP of 25.50, 45 rotatable bonds, 4 hydrogen bond donors, and 39 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-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 165038276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).