2-(2,6-dioxopiperidin-3-yl)-4-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]piperidin-1-yl]butyl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[4-[4-[4-[[1-(6-methoxy-2-pyridinyl)-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butyl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[4-[4-[4-[[3-oxo-2-prop-2-enyl-1-[6-(trifluoromethyl)-2-pyridinyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butyl]isoindole-1,3-dione;(2S,4R)-4-hydroxy-1-[(2S)-2-[6-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]hexanoylamino]-3,3-dimethylbutanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-4-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butanamide;methane

C230H266F3N53O28S2 — CID 163910101

About 2-(2,6-dioxopiperidin-3-yl)-4-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]piperidin-1-yl]butyl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[4-[4-[4-[[1-(6-methoxy-2-pyridinyl)-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butyl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[4-[4-[4-[[3-oxo-2-prop-2-enyl-1-[6-(trifluoromethyl)-2-pyridinyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butyl]isoindole-1,3-dione;(2S,4R)-4-hydroxy-1-[(2S)-2-[6-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]hexanoylamino]-3,3-dimethylbutanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-4-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butanamide;methane

2-(2,6-dioxopiperidin-3-yl)-4-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]piperidin-1-yl]butyl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[4-[4-[4-[[1-(6-methoxy-2-pyridinyl)-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butyl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[4-[4-[4-[[3-oxo-2-prop-2-enyl-1-[6-(trifluoromethyl)-2-pyridinyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butyl]isoindole-1,3-dione;(2S,4R)-4-hydroxy-1-[(2S)-2-[6-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]hexanoylamino]-3,3-dimethylbutanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-4-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butanamide;methane (PubChem CID 163910101) has the molecular formula C230H266F3N53O28S2 and a molecular weight of 4342.13 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]piperidin-1-yl]butyl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[4-[4-[4-[[1-(6-methoxy-2-pyridinyl)-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butyl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[4-[4-[4-[[3-oxo-2-prop-2-enyl-1-[6-(trifluoromethyl)-2-pyridinyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butyl]isoindole-1,3-dione;(2S,4R)-4-hydroxy-1-[(2S)-2-[6-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]hexanoylamino]-3,3-dimethylbutanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-4-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butanamide;methane.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-4-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]piperidin-1-yl]butyl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[4-[4-[4-[[1-(6-methoxy-2-pyridinyl)-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butyl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[4-[4-[4-[[3-oxo-2-prop-2-enyl-1-[6-(trifluoromethyl)-2-pyridinyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butyl]isoindole-1,3-dione;(2S,4R)-4-hydroxy-1-[(2S)-2-[6-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]hexanoylamino]-3,3-dimethylbutanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-4-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butanamide;methane
• PubChem CID: 163910101
• Molecular Formula: C230H266F3N53O28S2
• Molecular Weight: 4342.13 g/mol
• Exact Mass: 4339.04
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-4-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]piperidin-1-yl]butyl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[4-[4-[4-[[1-(6-methoxy-2-pyridinyl)-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butyl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[4-[4-[4-[[3-oxo-2-prop-2-enyl-1-[6-(trifluoromethyl)-2-pyridinyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butyl]isoindole-1,3-dione;(2S,4R)-4-hydroxy-1-[(2S)-2-[6-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]hexanoylamino]-3,3-dimethylbutanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-4-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butanamide;methane
• SMILES: C.C=CCn1c(=O)c2cnc(NC3CCN(CCCCc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nc2n1-c1cccc(C(C)(C)O)n1.C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(CCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=C)N[C@@H](C)c5ccc(-c6scnc6C)cc5)C(C)(C)C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1.C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(CCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)c5ccc(-c6scnc6C)cc5)C(C)(C)C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1.C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(CCCCc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3)nc2n1-c1cccc(C(F)(F)F)n1.C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(CCCCc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3)nc2n1-c1cccc(OC)n1
• InChI: InChI=1S/C55H70N12O6S.C54H68N12O5S.C41H39F3N10O5.C41H42N10O6.C38H43N9O6.CH4/c1-9-25-66-51(71)42-32-56-53(62-49(42)67(66)45-15-13-14-44(60-45)55(7,8)73)59-39-21-23-40(24-22-39)64-29-27-63(28-30-64)26-12-10-11-16-46(69)61-48(54(4,5)6)52(72)65-33-41(68)31-43(65)50(70)58-35(2)37-17-19-38(20-18-37)47-36(3)57-34-74-47;1-10-24-65-50(69)42-31-55-52(61-49(42)66(65)45-14-11-13-44(59-45)54(8,9)71)58-39-20-22-40(23-21-39)63-28-26-62(27-29-63)25-12-15-46(68)60-48(53(5,6)7)51(70)64-32-41(67)30-43(64)35(3)57-34(2)37-16-18-38(19-17-37)47-36(4)56-33-72-47;1-2-18-52-37(57)29-24-45-40(49-35(29)54(52)32-11-6-10-31(47-32)41(42,43)44)46-26-12-14-27(15-13-26)51-22-20-50(21-23-51)19-4-3-7-25-8-5-9-28-34(25)39(59)53(38(28)58)30-16-17-33(55)48-36(30)56;1-3-19-49-38(54)30-25-42-41(46-36(30)51(49)32-11-7-12-34(44-32)57-2)43-27-13-15-28(16-14-27)48-23-21-47(22-24-48)20-5-4-8-26-9-6-10-29-35(26)40(56)50(39(29)55)31-17-18-33(52)45-37(31)53;1-4-18-45-34(50)26-22-39-37(43-32(26)47(45)29-13-8-12-28(41-29)38(2,3)53)40-24-16-20-44(21-17-24)19-6-5-9-23-10-7-11-25-31(23)36(52)46(35(25)51)27-14-15-30(48)42-33(27)49;/h9,13-15,17-24,32,34-35,41,43,48,68,73H,1,10-12,16,25-31,33H2,2-8H3,(H,58,70)(H,61,69)(H,56,59,62);10-11,13-14,16-23,31,33-34,41,43,48,57,67,71H,1,3,12,15,24-30,32H2,2,4-9H3,(H,60,68)(H,55,58,61);2,5-6,8-15,24,30H,1,3-4,7,16-23H2,(H,45,46,49)(H,48,55,56);3,6-7,9-16,25,31H,1,4-5,8,17-24H2,2H3,(H,42,43,46)(H,45,52,53);4,7-8,10-13,22,24,27,53H,1,5-6,9,14-21H2,2-3H3,(H,39,40,43)(H,42,48,49);1H4/t35-,41+,43-,48+;34-,41+,43-,48+;;;;/m00..../s1
• InChIKey: QRHWHHMSEXMMIV-XLWDDGPYSA-N
• XLogP: 24.70
• TPSA: 944.07 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 72
• Rotatable Bonds: 74
• Heavy Atoms: 316
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4342.13
LogP ≤ 5	24.70
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	72

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]piperidin-1-yl]butyl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[4-[4-[4-[[1-(6-methoxy-2-pyridinyl)-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butyl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[4-[4-[4-[[3-oxo-2-prop-2-enyl-1-[6-(trifluoromethyl)-2-pyridinyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butyl]isoindole-1,3-dione;(2S,4R)-4-hydroxy-1-[(2S)-2-[6-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]hexanoylamino]-3,3-dimethylbutanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-4-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butanamide;methane?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]piperidin-1-yl]butyl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[4-[4-[4-[[1-(6-methoxy-2-pyridinyl)-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butyl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[4-[4-[4-[[3-oxo-2-prop-2-enyl-1-[6-(trifluoromethyl)-2-pyridinyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butyl]isoindole-1,3-dione;(2S,4R)-4-hydroxy-1-[(2S)-2-[6-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]hexanoylamino]-3,3-dimethylbutanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-4-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butanamide;methane (CID 163910101) is 2-(2,6-dioxopiperidin-3-yl)-4-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]piperidin-1-yl]butyl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[4-[4-[4-[[1-(6-methoxy-2-pyridinyl)-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butyl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[4-[4-[4-[[3-oxo-2-prop-2-enyl-1-[6-(trifluoromethyl)-2-pyridinyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butyl]isoindole-1,3-dione;(2S,4R)-4-hydroxy-1-[(2S)-2-[6-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]hexanoylamino]-3,3-dimethylbutanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-4-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butanamide;methane.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]piperidin-1-yl]butyl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[4-[4-[4-[[1-(6-methoxy-2-pyridinyl)-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butyl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[4-[4-[4-[[3-oxo-2-prop-2-enyl-1-[6-(trifluoromethyl)-2-pyridinyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butyl]isoindole-1,3-dione;(2S,4R)-4-hydroxy-1-[(2S)-2-[6-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]hexanoylamino]-3,3-dimethylbutanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-4-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butanamide;methane?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]piperidin-1-yl]butyl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[4-[4-[4-[[1-(6-methoxy-2-pyridinyl)-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butyl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[4-[4-[4-[[3-oxo-2-prop-2-enyl-1-[6-(trifluoromethyl)-2-pyridinyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butyl]isoindole-1,3-dione;(2S,4R)-4-hydroxy-1-[(2S)-2-[6-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]hexanoylamino]-3,3-dimethylbutanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-4-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butanamide;methane is C.C=CCn1c(=O)c2cnc(NC3CCN(CCCCc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nc2n1-c1cccc(C(C)(C)O)n1.C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(CCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=C)N[C@@H](C)c5ccc(-c6scnc6C)cc5)C(C)(C)C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1.C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(CCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)c5ccc(-c6scnc6C)cc5)C(C)(C)C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1.C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(CCCCc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3)nc2n1-c1cccc(C(F)(F)F)n1.C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(CCCCc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3)nc2n1-c1cccc(OC)n1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]piperidin-1-yl]butyl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[4-[4-[4-[[1-(6-methoxy-2-pyridinyl)-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butyl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[4-[4-[4-[[3-oxo-2-prop-2-enyl-1-[6-(trifluoromethyl)-2-pyridinyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butyl]isoindole-1,3-dione;(2S,4R)-4-hydroxy-1-[(2S)-2-[6-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]hexanoylamino]-3,3-dimethylbutanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-4-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butanamide;methane?

The InChIKey is QRHWHHMSEXMMIV-XLWDDGPYSA-N. The full InChI is InChI=1S/C55H70N12O6S.C54H68N12O5S.C41H39F3N10O5.C41H42N10O6.C38H43N9O6.CH4/c1-9-25-66-51(71)42-32-56-53(62-49(42)67(66)45-15-13-14-44(60-45)55(7,8)73)59-39-21-23-40(24-22-39)64-29-27-63(28-30-64)26-12-10-11-16-46(69)61-48(54(4,5)6)52(72)65-33-41(68)31-43(65)50(70)58-35(2)37-17-19-38(20-18-37)47-36(3)57-34-74-47;1-10-24-65-50(69)42-31-55-52(61-49(42)66(65)45-14-11-13-44(59-45)54(8,9)71)58-39-20-22-40(23-21-39)63-28-26-62(27-29-63)25-12-15-46(68)60-48(53(5,6)7)51(70)64-32-41(67)30-43(64)35(3)57-34(2)37-16-18-38(19-17-37)47-36(4)56-33-72-47;1-2-18-52-37(57)29-24-45-40(49-35(29)54(52)32-11-6-10-31(47-32)41(42,43)44)46-26-12-14-27(15-13-26)51-22-20-50(21-23-51)19-4-3-7-25-8-5-9-28-34(25)39(59)53(38(28)58)30-16-17-33(55)48-36(30)56;1-3-19-49-38(54)30-25-42-41(46-36(30)51(49)32-11-7-12-34(44-32)57-2)43-27-13-15-28(16-14-27)48-23-21-47(22-24-48)20-5-4-8-26-9-6-10-29-35(26)40(56)50(39(29)55)31-17-18-33(52)45-37(31)53;1-4-18-45-34(50)26-22-39-37(43-32(26)47(45)29-13-8-12-28(41-29)38(2,3)53)40-24-16-20-44(21-17-24)19-6-5-9-23-10-7-11-25-31(23)36(52)46(35(25)51)27-14-15-30(48)42-33(27)49;/h9,13-15,17-24,32,34-35,41,43,48,68,73H,1,10-12,16,25-31,33H2,2-8H3,(H,58,70)(H,61,69)(H,56,59,62);10-11,13-14,16-23,31,33-34,41,43,48,57,67,71H,1,3,12,15,24-30,32H2,2,4-9H3,(H,60,68)(H,55,58,61);2,5-6,8-15,24,30H,1,3-4,7,16-23H2,(H,45,46,49)(H,48,55,56);3,6-7,9-16,25,31H,1,4-5,8,17-24H2,2H3,(H,42,43,46)(H,45,52,53);4,7-8,10-13,22,24,27,53H,1,5-6,9,14-21H2,2-3H3,(H,39,40,43)(H,42,48,49);1H4/t35-,41+,43-,48+;34-,41+,43-,48+;;;;/m00..../s1.

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]piperidin-1-yl]butyl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[4-[4-[4-[[1-(6-methoxy-2-pyridinyl)-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butyl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[4-[4-[4-[[3-oxo-2-prop-2-enyl-1-[6-(trifluoromethyl)-2-pyridinyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butyl]isoindole-1,3-dione;(2S,4R)-4-hydroxy-1-[(2S)-2-[6-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]hexanoylamino]-3,3-dimethylbutanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-4-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butanamide;methane?

2-(2,6-dioxopiperidin-3-yl)-4-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]piperidin-1-yl]butyl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[4-[4-[4-[[1-(6-methoxy-2-pyridinyl)-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butyl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[4-[4-[4-[[3-oxo-2-prop-2-enyl-1-[6-(trifluoromethyl)-2-pyridinyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butyl]isoindole-1,3-dione;(2S,4R)-4-hydroxy-1-[(2S)-2-[6-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]hexanoylamino]-3,3-dimethylbutanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-4-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butanamide;methane has a molecular weight of 4342.13 g/mol, XLogP of 24.70, 74 rotatable bonds, 17 hydrogen bond donors, and 72 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-4-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]piperidin-1-yl]butyl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[4-[4-[4-[[1-(6-methoxy-2-pyridinyl)-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butyl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[4-[4-[4-[[3-oxo-2-prop-2-enyl-1-[6-(trifluoromethyl)-2-pyridinyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butyl]isoindole-1,3-dione;(2S,4R)-4-hydroxy-1-[(2S)-2-[6-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]hexanoylamino]-3,3-dimethylbutanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-4-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butanamide;methane is sourced from PubChem (CID 163910101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).