2-[4-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]butoxy]butoxy]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide;5-[3-[4-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]butoxy]butoxy]-2-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-[6-[6-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]hexoxy]hexoxy]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide;(2S,4R)-N-[[2-[2-[2-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxoethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-methylidene-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide

C199H222N36O28S — CID 158280989

About 2-[4-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]butoxy]butoxy]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide;5-[3-[4-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]butoxy]butoxy]-2-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-[6-[6-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]hexoxy]hexoxy]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide;(2S,4R)-N-[[2-[2-[2-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxoethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-methylidene-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide

2-[4-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]butoxy]butoxy]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide;5-[3-[4-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]butoxy]butoxy]-2-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-[6-[6-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]hexoxy]hexoxy]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide;(2S,4R)-N-[[2-[2-[2-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxoethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-methylidene-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide (PubChem CID 158280989) has the molecular formula C199H222N36O28S and a molecular weight of 3598.26 g/mol. Its IUPAC name is 2-[4-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]butoxy]butoxy]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide;5-[3-[4-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]butoxy]butoxy]-2-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-[6-[6-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]hexoxy]hexoxy]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide;(2S,4R)-N-[[2-[2-[2-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxoethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-methylidene-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: 2-[4-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]butoxy]butoxy]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide;5-[3-[4-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]butoxy]butoxy]-2-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-[6-[6-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]hexoxy]hexoxy]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide;(2S,4R)-N-[[2-[2-[2-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxoethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-methylidene-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide
• PubChem CID: 158280989
• Molecular Formula: C199H222N36O28S
• Molecular Weight: 3598.26 g/mol
• Exact Mass: 3595.68
• IUPAC Name: 2-[4-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]butoxy]butoxy]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide;5-[3-[4-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]butoxy]butoxy]-2-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-[6-[6-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]hexoxy]hexoxy]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide;(2S,4R)-N-[[2-[2-[2-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxoethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-methylidene-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide
• SMILES: C=C1CCC(N2C(=O)c3ccc(CC(=O)COCCCCOCCCCN4CCC(n5nc(-c6ccc(Oc7ccccc7)cc6)c6c(N)ncnc65)CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NC(=O)COCCCCCCOCCCCCCN4CCC(n5nc(-c6ccc(Oc7ccccc7)cc6)c6c(N)ncnc65)CC4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NC(=O)COCCCCOCCCCN4CCC(n5nc(-c6ccc(Oc7ccccc7)cc6)c6c(N)ncnc65)CC4)c3C2=O)C(=O)N1.C=C1c2ccccc2CN1[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(-c2scnc2C)cc1OCCOCC(=O)N1CCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)CC1)C(C)C
• InChI: InChI=1S/C56H60N10O7S.C50H59N9O7.C47H52N8O7.C46H51N9O7/c1-34(2)51(64-29-40-10-8-9-13-45(40)36(64)4)56(70)65-30-42(67)27-46(65)55(69)58-28-39-15-14-38(52-35(3)61-33-74-52)26-47(39)72-25-24-71-31-48(68)63-22-20-41(21-23-63)66-54-49(53(57)59-32-60-54)50(62-66)37-16-18-44(19-17-37)73-43-11-6-5-7-12-43;1-34-18-23-41(48(61)54-34)58-49(62)39-16-13-17-40(43(39)50(58)63)55-42(60)32-65-31-12-5-4-11-30-64-29-10-3-2-9-26-57-27-24-36(25-28-57)59-47-44(46(51)52-33-53-47)45(56-59)35-19-21-38(22-20-35)66-37-14-7-6-8-15-37;1-31-11-18-40(45(57)51-31)54-46(58)38-17-12-32(28-39(38)47(54)59)27-35(56)29-61-26-8-7-25-60-24-6-5-21-53-22-19-34(20-23-53)55-44-41(43(48)49-30-50-44)42(52-55)33-13-15-37(16-14-33)62-36-9-3-2-4-10-36;1-30-14-19-37(44(57)50-30)54-45(58)35-12-9-13-36(39(35)46(54)59)51-38(56)28-61-27-8-7-26-60-25-6-5-22-53-23-20-32(21-24-53)55-43-40(42(47)48-29-49-43)41(52-55)31-15-17-34(18-16-31)62-33-10-3-2-4-11-33/h5-19,26,32-34,41-42,46,51,67H,4,20-25,27-31H2,1-3H3,(H,58,69)(H2,57,59,60);6-8,13-17,19-22,33,36,41H,1-5,9-12,18,23-32H2,(H,54,61)(H,55,60)(H2,51,52,53);2-4,9-10,12-17,28,30,34,40H,1,5-8,11,18-27,29H2,(H,51,57)(H2,48,49,50);2-4,9-13,15-18,29,32,37H,1,5-8,14,19-28H2,(H,50,57)(H,51,56)(H2,47,48,49)/t42-,46+,51+;;;/m1.../s1
• InChIKey: GKEZYQLJVYVARV-BTSDAVIDSA-N
• XLogP: 27.76
• TPSA: 779.75 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 54
• Rotatable Bonds: 76
• Heavy Atoms: 264
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3598.26
LogP ≤ 5	27.76
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	54

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]butoxy]butoxy]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide;5-[3-[4-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]butoxy]butoxy]-2-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-[6-[6-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]hexoxy]hexoxy]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide;(2S,4R)-N-[[2-[2-[2-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxoethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-methylidene-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide?

The IUPAC name of 2-[4-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]butoxy]butoxy]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide;5-[3-[4-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]butoxy]butoxy]-2-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-[6-[6-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]hexoxy]hexoxy]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide;(2S,4R)-N-[[2-[2-[2-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxoethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-methylidene-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide (CID 158280989) is 2-[4-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]butoxy]butoxy]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide;5-[3-[4-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]butoxy]butoxy]-2-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-[6-[6-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]hexoxy]hexoxy]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide;(2S,4R)-N-[[2-[2-[2-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxoethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-methylidene-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for 2-[4-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]butoxy]butoxy]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide;5-[3-[4-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]butoxy]butoxy]-2-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-[6-[6-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]hexoxy]hexoxy]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide;(2S,4R)-N-[[2-[2-[2-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxoethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-methylidene-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide?

The canonical SMILES for 2-[4-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]butoxy]butoxy]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide;5-[3-[4-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]butoxy]butoxy]-2-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-[6-[6-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]hexoxy]hexoxy]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide;(2S,4R)-N-[[2-[2-[2-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxoethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-methylidene-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide is C=C1CCC(N2C(=O)c3ccc(CC(=O)COCCCCOCCCCN4CCC(n5nc(-c6ccc(Oc7ccccc7)cc6)c6c(N)ncnc65)CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NC(=O)COCCCCCCOCCCCCCN4CCC(n5nc(-c6ccc(Oc7ccccc7)cc6)c6c(N)ncnc65)CC4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NC(=O)COCCCCOCCCCN4CCC(n5nc(-c6ccc(Oc7ccccc7)cc6)c6c(N)ncnc65)CC4)c3C2=O)C(=O)N1.C=C1c2ccccc2CN1[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(-c2scnc2C)cc1OCCOCC(=O)N1CCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)CC1)C(C)C.

What is the InChIKey of 2-[4-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]butoxy]butoxy]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide;5-[3-[4-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]butoxy]butoxy]-2-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-[6-[6-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]hexoxy]hexoxy]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide;(2S,4R)-N-[[2-[2-[2-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxoethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-methylidene-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide?

The InChIKey is GKEZYQLJVYVARV-BTSDAVIDSA-N. The full InChI is InChI=1S/C56H60N10O7S.C50H59N9O7.C47H52N8O7.C46H51N9O7/c1-34(2)51(64-29-40-10-8-9-13-45(40)36(64)4)56(70)65-30-42(67)27-46(65)55(69)58-28-39-15-14-38(52-35(3)61-33-74-52)26-47(39)72-25-24-71-31-48(68)63-22-20-41(21-23-63)66-54-49(53(57)59-32-60-54)50(62-66)37-16-18-44(19-17-37)73-43-11-6-5-7-12-43;1-34-18-23-41(48(61)54-34)58-49(62)39-16-13-17-40(43(39)50(58)63)55-42(60)32-65-31-12-5-4-11-30-64-29-10-3-2-9-26-57-27-24-36(25-28-57)59-47-44(46(51)52-33-53-47)45(56-59)35-19-21-38(22-20-35)66-37-14-7-6-8-15-37;1-31-11-18-40(45(57)51-31)54-46(58)38-17-12-32(28-39(38)47(54)59)27-35(56)29-61-26-8-7-25-60-24-6-5-21-53-22-19-34(20-23-53)55-44-41(43(48)49-30-50-44)42(52-55)33-13-15-37(16-14-33)62-36-9-3-2-4-10-36;1-30-14-19-37(44(57)50-30)54-45(58)35-12-9-13-36(39(35)46(54)59)51-38(56)28-61-27-8-7-26-60-25-6-5-22-53-23-20-32(21-24-53)55-43-40(42(47)48-29-49-43)41(52-55)31-15-17-34(18-16-31)62-33-10-3-2-4-11-33/h5-19,26,32-34,41-42,46,51,67H,4,20-25,27-31H2,1-3H3,(H,58,69)(H2,57,59,60);6-8,13-17,19-22,33,36,41H,1-5,9-12,18,23-32H2,(H,54,61)(H,55,60)(H2,51,52,53);2-4,9-10,12-17,28,30,34,40H,1,5-8,11,18-27,29H2,(H,51,57)(H2,48,49,50);2-4,9-13,15-18,29,32,37H,1,5-8,14,19-28H2,(H,50,57)(H,51,56)(H2,47,48,49)/t42-,46+,51+;;;/m1.../s1.

What are the key properties of 2-[4-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]butoxy]butoxy]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide;5-[3-[4-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]butoxy]butoxy]-2-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-[6-[6-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]hexoxy]hexoxy]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide;(2S,4R)-N-[[2-[2-[2-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxoethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-methylidene-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide?

2-[4-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]butoxy]butoxy]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide;5-[3-[4-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]butoxy]butoxy]-2-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-[6-[6-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]hexoxy]hexoxy]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide;(2S,4R)-N-[[2-[2-[2-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxoethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-methylidene-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide has a molecular weight of 3598.26 g/mol, XLogP of 27.76, 76 rotatable bonds, 11 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]butoxy]butoxy]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide;5-[3-[4-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]butoxy]butoxy]-2-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-[6-[6-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]hexoxy]hexoxy]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide;(2S,4R)-N-[[2-[2-[2-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxoethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-methylidene-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 158280989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).