3-[7-[[4-[2-[4-[4-[[1-(6-tert-butyl-2-pyridinyl)-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]phenyl]piperazin-1-yl]ethoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[2-[4-[4-[[1-(6-tert-butyl-2-pyridinyl)-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]phenyl]piperazin-1-yl]-2-oxoethoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[3,5-dimethoxy-4-[5-[methyl-[[4-(6-methyl-9-oxo-10-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)phenyl]methyl]amino]-2-oxopentoxy]phenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C149H156N28O23 — CID 164973257

IUPAC3-[7-[[4-[2-[4-[4-[[1-(6-tert-butyl-2-pyridinyl)-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]phenyl]piperazin-1-yl]ethoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[2-[4-[4-[[1-(6-tert-butyl-2-pyridinyl)-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]phenyl]piperazin-1-yl]-2-oxoethoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[3,5-dimethoxy-4-[5-[methyl-[[4-(6-methyl-9-oxo-10-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)phenyl]methyl]amino]-2-oxopentoxy]phenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESC=CCn1c(=O)c2cnc(Cc3ccc(N4CCN(C(=O)COc5c(OC)cc(/N=N/c6cccc7c6CN(C6CCC(=O)NC6=O)C7=O)cc5OC)CC4)cc3)nc2n1-c1cccc(C(C)(C)C)n1.C=CCn1c(=O)c2cnc(Cc3ccc(N4CCN(CCOc5c(OC)cc(/N=N/c6cccc7c6CN(C6CCC(=O)NC6=O)C7=O)cc5OC)CC4)cc3)nc2n1-c1cccc(C(C)(C)C)n1.COc1cc(/N=N/c2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)cc(OC)c1OCC(=O)CCCN(C)Cc1ccc(C2=C3CCNC(=O)c4cc(C)cc(c43)C2)cc1
InChIInChI=1S/C51H53N11O8.C51H55N11O7.C47H48N6O8/c1-7-20-61-50(67)35-28-52-42(54-47(35)62(61)43-13-9-12-41(53-43)51(2,3)4)25-31-14-16-33(17-15-31)58-21-23-59(24-22-58)45(64)30-70-46-39(68-5)26-32(27-40(46)69-6)56-57-37-11-8-10-34-36(37)29-60(49(34)66)38-18-19-44(63)55-48(38)65;1-7-20-61-50(66)36-30-52-43(54-47(36)62(61)44-13-9-12-42(53-44)51(2,3)4)27-32-14-16-34(17-15-32)59-23-21-58(22-24-59)25-26-69-46-40(67-5)28-33(29-41(46)68-6)56-57-38-11-8-10-35-37(38)31-60(49(35)65)39-18-19-45(63)55-48(39)64;1-27-19-30-21-35(33-16-17-48-45(56)36(20-27)43(30)33)29-12-10-28(11-13-29)24-52(2)18-6-7-32(54)26-61-44-40(59-3)22-31(23-41(44)60-4)50-51-38-9-5-8-34-37(38)25-53(47(34)58)39-14-15-42(55)49-46(39)57/h7-17,26-28,38H,1,18-25,29-30H2,2-6H3,(H,55,63,65);7-17,28-30,39H,1,18-27,31H2,2-6H3,(H,55,63,64);5,8-13,19-20,22-23,39H,6-7,14-18,21,24-26H2,1-4H3,(H,48,56)(H,49,55,57)/b2*57-56+;51-50+
InChIKeyDKPDZLFSBOITRY-MPSBNEMPSA-N
MW2707.06 g/mol
LogP19.07
Rot. Bonds44

About 3-[7-[[4-[2-[4-[4-[[1-(6-tert-butyl-2-pyridinyl)-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]phenyl]piperazin-1-yl]ethoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[2-[4-[4-[[1-(6-tert-butyl-2-pyridinyl)-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]phenyl]piperazin-1-yl]-2-oxoethoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[3,5-dimethoxy-4-[5-[methyl-[[4-(6-methyl-9-oxo-10-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)phenyl]methyl]amino]-2-oxopentoxy]phenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[7-[[4-[2-[4-[4-[[1-(6-tert-butyl-2-pyridinyl)-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]phenyl]piperazin-1-yl]ethoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[2-[4-[4-[[1-(6-tert-butyl-2-pyridinyl)-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]phenyl]piperazin-1-yl]-2-oxoethoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[3,5-dimethoxy-4-[5-[methyl-[[4-(6-methyl-9-oxo-10-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)phenyl]methyl]amino]-2-oxopentoxy]phenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 164973257) has the molecular formula C149H156N28O23 and a molecular weight of 2707.06 g/mol. Its IUPAC name is 3-[7-[[4-[2-[4-[4-[[1-(6-tert-butyl-2-pyridinyl)-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]phenyl]piperazin-1-yl]ethoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[2-[4-[4-[[1-(6-tert-butyl-2-pyridinyl)-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]phenyl]piperazin-1-yl]-2-oxoethoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[3,5-dimethoxy-4-[5-[methyl-[[4-(6-methyl-9-oxo-10-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)phenyl]methyl]amino]-2-oxopentoxy]phenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[7-[[4-[2-[4-[4-[[1-(6-tert-butyl-2-pyridinyl)-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]phenyl]piperazin-1-yl]ethoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[2-[4-[4-[[1-(6-tert-butyl-2-pyridinyl)-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]phenyl]piperazin-1-yl]-2-oxoethoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[3,5-dimethoxy-4-[5-[methyl-[[4-(6-methyl-9-oxo-10-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)phenyl]methyl]amino]-2-oxopentoxy]phenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID164973257
Molecular FormulaC149H156N28O23
Molecular Weight2707.06 g/mol
Exact Mass2705.19
IUPAC Name3-[7-[[4-[2-[4-[4-[[1-(6-tert-butyl-2-pyridinyl)-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]phenyl]piperazin-1-yl]ethoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[2-[4-[4-[[1-(6-tert-butyl-2-pyridinyl)-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]phenyl]piperazin-1-yl]-2-oxoethoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[3,5-dimethoxy-4-[5-[methyl-[[4-(6-methyl-9-oxo-10-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)phenyl]methyl]amino]-2-oxopentoxy]phenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESC=CCn1c(=O)c2cnc(Cc3ccc(N4CCN(C(=O)COc5c(OC)cc(/N=N/c6cccc7c6CN(C6CCC(=O)NC6=O)C7=O)cc5OC)CC4)cc3)nc2n1-c1cccc(C(C)(C)C)n1.C=CCn1c(=O)c2cnc(Cc3ccc(N4CCN(CCOc5c(OC)cc(/N=N/c6cccc7c6CN(C6CCC(=O)NC6=O)C7=O)cc5OC)CC4)cc3)nc2n1-c1cccc(C(C)(C)C)n1.COc1cc(/N=N/c2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)cc(OC)c1OCC(=O)CCCN(C)Cc1ccc(C2=C3CCNC(=O)c4cc(C)cc(c43)C2)cc1
InChIInChI=1S/C51H53N11O8.C51H55N11O7.C47H48N6O8/c1-7-20-61-50(67)35-28-52-42(54-47(35)62(61)43-13-9-12-41(53-43)51(2,3)4)25-31-14-16-33(17-15-31)58-21-23-59(24-22-58)45(64)30-70-46-39(68-5)26-32(27-40(46)69-6)56-57-37-11-8-10-34-36(37)29-60(49(34)66)38-18-19-44(63)55-48(38)65;1-7-20-61-50(66)36-30-52-43(54-47(36)62(61)44-13-9-12-42(53-44)51(2,3)4)27-32-14-16-34(17-15-32)59-23-21-58(22-24-59)25-26-69-46-40(67-5)28-33(29-41(46)68-6)56-57-38-11-8-10-35-37(38)31-60(49(35)65)39-18-19-45(63)55-48(39)64;1-27-19-30-21-35(33-16-17-48-45(56)36(20-27)43(30)33)29-12-10-28(11-13-29)24-52(2)18-6-7-32(54)26-61-44-40(59-3)22-31(23-41(44)60-4)50-51-38-9-5-8-34-37(38)25-53(47(34)58)39-14-15-42(55)49-46(39)57/h7-17,26-28,38H,1,18-25,29-30H2,2-6H3,(H,55,63,65);7-17,28-30,39H,1,18-27,31H2,2-6H3,(H,55,63,64);5,8-13,19-20,22-23,39H,6-7,14-18,21,24-26H2,1-4H3,(H,48,56)(H,49,55,57)/b2*57-56+;51-50+
InChIKeyDKPDZLFSBOITRY-MPSBNEMPSA-N
XLogP19.07
TPSA567.31 Ų
H-Bond Donors4
H-Bond Acceptors43
Rotatable Bonds44
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002707.06
LogP ≤ 519.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[7-[[4-[2-[4-[4-[[1-(6-tert-butyl-2-pyridinyl)-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]phenyl]piperazin-1-yl]ethoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[2-[4-[4-[[1-(6-tert-butyl-2-pyridinyl)-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]phenyl]piperazin-1-yl]-2-oxoethoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[3,5-dimethoxy-4-[5-[methyl-[[4-(6-methyl-9-oxo-10-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)phenyl]methyl]amino]-2-oxopentoxy]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 3-[7-[[4-[2-[4-[4-[[1-(6-tert-butyl-2-pyridinyl)-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]phenyl]piperazin-1-yl]ethoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[2-[4-[4-[[1-(6-tert-butyl-2-pyridinyl)-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]phenyl]piperazin-1-yl]-2-oxoethoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[3,5-dimethoxy-4-[5-[methyl-[[4-(6-methyl-9-oxo-10-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)phenyl]methyl]amino]-2-oxopentoxy]phenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[7-[[4-[2-[4-[4-[[1-(6-tert-butyl-2-pyridinyl)-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]phenyl]piperazin-1-yl]ethoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[2-[4-[4-[[1-(6-tert-butyl-2-pyridinyl)-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]phenyl]piperazin-1-yl]-2-oxoethoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[3,5-dimethoxy-4-[5-[methyl-[[4-(6-methyl-9-oxo-10-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)phenyl]methyl]amino]-2-oxopentoxy]phenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 164973257) is 3-[7-[[4-[2-[4-[4-[[1-(6-tert-butyl-2-pyridinyl)-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]phenyl]piperazin-1-yl]ethoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[2-[4-[4-[[1-(6-tert-butyl-2-pyridinyl)-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]phenyl]piperazin-1-yl]-2-oxoethoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[3,5-dimethoxy-4-[5-[methyl-[[4-(6-methyl-9-oxo-10-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)phenyl]methyl]amino]-2-oxopentoxy]phenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[7-[[4-[2-[4-[4-[[1-(6-tert-butyl-2-pyridinyl)-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]phenyl]piperazin-1-yl]ethoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[2-[4-[4-[[1-(6-tert-butyl-2-pyridinyl)-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]phenyl]piperazin-1-yl]-2-oxoethoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[3,5-dimethoxy-4-[5-[methyl-[[4-(6-methyl-9-oxo-10-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)phenyl]methyl]amino]-2-oxopentoxy]phenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[7-[[4-[2-[4-[4-[[1-(6-tert-butyl-2-pyridinyl)-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]phenyl]piperazin-1-yl]ethoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[2-[4-[4-[[1-(6-tert-butyl-2-pyridinyl)-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]phenyl]piperazin-1-yl]-2-oxoethoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[3,5-dimethoxy-4-[5-[methyl-[[4-(6-methyl-9-oxo-10-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)phenyl]methyl]amino]-2-oxopentoxy]phenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is C=CCn1c(=O)c2cnc(Cc3ccc(N4CCN(C(=O)COc5c(OC)cc(/N=N/c6cccc7c6CN(C6CCC(=O)NC6=O)C7=O)cc5OC)CC4)cc3)nc2n1-c1cccc(C(C)(C)C)n1.C=CCn1c(=O)c2cnc(Cc3ccc(N4CCN(CCOc5c(OC)cc(/N=N/c6cccc7c6CN(C6CCC(=O)NC6=O)C7=O)cc5OC)CC4)cc3)nc2n1-c1cccc(C(C)(C)C)n1.COc1cc(/N=N/c2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)cc(OC)c1OCC(=O)CCCN(C)Cc1ccc(C2=C3CCNC(=O)c4cc(C)cc(c43)C2)cc1.
What is the InChIKey of 3-[7-[[4-[2-[4-[4-[[1-(6-tert-butyl-2-pyridinyl)-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]phenyl]piperazin-1-yl]ethoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[2-[4-[4-[[1-(6-tert-butyl-2-pyridinyl)-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]phenyl]piperazin-1-yl]-2-oxoethoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[3,5-dimethoxy-4-[5-[methyl-[[4-(6-methyl-9-oxo-10-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)phenyl]methyl]amino]-2-oxopentoxy]phenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is DKPDZLFSBOITRY-MPSBNEMPSA-N. The full InChI is InChI=1S/C51H53N11O8.C51H55N11O7.C47H48N6O8/c1-7-20-61-50(67)35-28-52-42(54-47(35)62(61)43-13-9-12-41(53-43)51(2,3)4)25-31-14-16-33(17-15-31)58-21-23-59(24-22-58)45(64)30-70-46-39(68-5)26-32(27-40(46)69-6)56-57-37-11-8-10-34-36(37)29-60(49(34)66)38-18-19-44(63)55-48(38)65;1-7-20-61-50(66)36-30-52-43(54-47(36)62(61)44-13-9-12-42(53-44)51(2,3)4)27-32-14-16-34(17-15-32)59-23-21-58(22-24-59)25-26-69-46-40(67-5)28-33(29-41(46)68-6)56-57-38-11-8-10-35-37(38)31-60(49(35)65)39-18-19-45(63)55-48(39)64;1-27-19-30-21-35(33-16-17-48-45(56)36(20-27)43(30)33)29-12-10-28(11-13-29)24-52(2)18-6-7-32(54)26-61-44-40(59-3)22-31(23-41(44)60-4)50-51-38-9-5-8-34-37(38)25-53(47(34)58)39-14-15-42(55)49-46(39)57/h7-17,26-28,38H,1,18-25,29-30H2,2-6H3,(H,55,63,65);7-17,28-30,39H,1,18-27,31H2,2-6H3,(H,55,63,64);5,8-13,19-20,22-23,39H,6-7,14-18,21,24-26H2,1-4H3,(H,48,56)(H,49,55,57)/b2*57-56+;51-50+.
What are the key properties of 3-[7-[[4-[2-[4-[4-[[1-(6-tert-butyl-2-pyridinyl)-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]phenyl]piperazin-1-yl]ethoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[2-[4-[4-[[1-(6-tert-butyl-2-pyridinyl)-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]phenyl]piperazin-1-yl]-2-oxoethoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[3,5-dimethoxy-4-[5-[methyl-[[4-(6-methyl-9-oxo-10-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)phenyl]methyl]amino]-2-oxopentoxy]phenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[7-[[4-[2-[4-[4-[[1-(6-tert-butyl-2-pyridinyl)-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]phenyl]piperazin-1-yl]ethoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[2-[4-[4-[[1-(6-tert-butyl-2-pyridinyl)-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]phenyl]piperazin-1-yl]-2-oxoethoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[3,5-dimethoxy-4-[5-[methyl-[[4-(6-methyl-9-oxo-10-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)phenyl]methyl]amino]-2-oxopentoxy]phenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 2707.06 g/mol, XLogP of 19.07, 44 rotatable bonds, 4 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[[4-[2-[4-[4-[[1-(6-tert-butyl-2-pyridinyl)-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]phenyl]piperazin-1-yl]ethoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[2-[4-[4-[[1-(6-tert-butyl-2-pyridinyl)-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]phenyl]piperazin-1-yl]-2-oxoethoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[3,5-dimethoxy-4-[5-[methyl-[[4-(6-methyl-9-oxo-10-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)phenyl]methyl]amino]-2-oxopentoxy]phenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 164973257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).