4-[[4-[3-[[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]amino]propoxy]-3-methoxy-5-methylphenyl]diazenyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;3-[7-[[4-[6-[4-[(E)-3-(2-chloro-4-methylphenyl)prop-2-enoyl]-5-hydroxy-2-[[5-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenoxy]-2-oxohexoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[2-[4-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-2-oxoethoxy]-3-methoxy-5-methylphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C143H147Cl3FN25O23 — CID 165109305

About 4-[[4-[3-[[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]amino]propoxy]-3-methoxy-5-methylphenyl]diazenyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;3-[7-[[4-[6-[4-[(E)-3-(2-chloro-4-methylphenyl)prop-2-enoyl]-5-hydroxy-2-[[5-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenoxy]-2-oxohexoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[2-[4-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-2-oxoethoxy]-3-methoxy-5-methylphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

4-[[4-[3-[[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]amino]propoxy]-3-methoxy-5-methylphenyl]diazenyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;3-[7-[[4-[6-[4-[(E)-3-(2-chloro-4-methylphenyl)prop-2-enoyl]-5-hydroxy-2-[[5-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenoxy]-2-oxohexoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[2-[4-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-2-oxoethoxy]-3-methoxy-5-methylphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 165109305) has the molecular formula C143H147Cl3FN25O23 and a molecular weight of 2709.26 g/mol. Its IUPAC name is 4-[[4-[3-[[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]amino]propoxy]-3-methoxy-5-methylphenyl]diazenyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;3-[7-[[4-[6-[4-[(E)-3-(2-chloro-4-methylphenyl)prop-2-enoyl]-5-hydroxy-2-[[5-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenoxy]-2-oxohexoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[2-[4-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-2-oxoethoxy]-3-methoxy-5-methylphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 4-[[4-[3-[[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]amino]propoxy]-3-methoxy-5-methylphenyl]diazenyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;3-[7-[[4-[6-[4-[(E)-3-(2-chloro-4-methylphenyl)prop-2-enoyl]-5-hydroxy-2-[[5-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenoxy]-2-oxohexoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[2-[4-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-2-oxoethoxy]-3-methoxy-5-methylphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 165109305
• Molecular Formula: C143H147Cl3FN25O23
• Molecular Weight: 2709.26 g/mol
• Exact Mass: 2706.02
• IUPAC Name: 4-[[4-[3-[[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]amino]propoxy]-3-methoxy-5-methylphenyl]diazenyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;3-[7-[[4-[6-[4-[(E)-3-(2-chloro-4-methylphenyl)prop-2-enoyl]-5-hydroxy-2-[[5-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenoxy]-2-oxohexoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[2-[4-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-2-oxoethoxy]-3-methoxy-5-methylphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: C=C1CCC(N2Cc3c(/N=N/c4cc(C)c(OCCCNC5(C)CCN(c6cnc(-c7cccc(Cl)c7Cl)c(N)n6)CC5)c(OC)c4)cccc3C2=O)C(=O)N1.COc1cc(/N=N/c2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)cc(OC)c1OCC(=O)CCCCOc1cc(O)c(C(=O)/C=C/c2ccc(C)cc2Cl)cc1CN1CCC=C(n2c(=O)[nH]c3ccccc32)C1.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CCN(C(=O)COc2c(C)cc(/N=N/c3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2OC)CC1
• InChI: InChI=1S/C56H54ClN7O11.C46H48FN9O8.C41H45Cl2N9O4/c1-33-16-17-34(42(57)24-33)18-20-47(66)40-25-35(29-62-22-9-10-37(30-62)64-45-15-5-4-13-44(45)58-56(64)71)49(28-48(40)67)74-23-7-6-11-38(65)32-75-53-50(72-2)26-36(27-51(53)73-3)60-61-43-14-8-12-39-41(43)31-63(55(39)70)46-19-21-52(68)59-54(46)69;1-27-19-29(9-10-34(27)47)50-44-32-22-39(38(61-3)23-36(32)48-26-49-44)63-18-6-13-54-14-16-55(17-15-54)42(58)25-64-43-28(2)20-30(21-40(43)62-4)52-53-35-8-5-7-31-33(35)24-56(46(31)60)37-11-12-41(57)51-45(37)59;1-24-20-26(49-50-31-11-6-8-27-29(31)23-52(40(27)54)32-13-12-25(2)47-39(32)53)21-33(55-4)37(24)56-19-7-16-46-41(3)14-17-51(18-15-41)34-22-45-36(38(44)48-34)28-9-5-10-30(42)35(28)43/h4-5,8,10,12-18,20,24-28,46,67H,6-7,9,11,19,21-23,29-32H2,1-3H3,(H,58,71)(H,59,68,69);5,7-10,19-23,26,37H,6,11-18,24-25H2,1-4H3,(H,48,49,50)(H,51,57,59);5-6,8-11,20-22,32,46H,2,7,12-19,23H2,1,3-4H3,(H2,44,48)(H,47,53)/b20-18+,61-60+;53-52+;50-49+
• InChIKey: ZRIOZRDRKQJICL-ODFUFRAGSA-N
• XLogP: 23.28
• TPSA: 572.66 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 40
• Rotatable Bonds: 47
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2709.26
LogP ≤ 5	23.28
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	40

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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[3-[[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]amino]propoxy]-3-methoxy-5-methylphenyl]diazenyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;3-[7-[[4-[6-[4-[(E)-3-(2-chloro-4-methylphenyl)prop-2-enoyl]-5-hydroxy-2-[[5-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenoxy]-2-oxohexoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[2-[4-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-2-oxoethoxy]-3-methoxy-5-methylphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 4-[[4-[3-[[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]amino]propoxy]-3-methoxy-5-methylphenyl]diazenyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;3-[7-[[4-[6-[4-[(E)-3-(2-chloro-4-methylphenyl)prop-2-enoyl]-5-hydroxy-2-[[5-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenoxy]-2-oxohexoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[2-[4-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-2-oxoethoxy]-3-methoxy-5-methylphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 165109305) is 4-[[4-[3-[[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]amino]propoxy]-3-methoxy-5-methylphenyl]diazenyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;3-[7-[[4-[6-[4-[(E)-3-(2-chloro-4-methylphenyl)prop-2-enoyl]-5-hydroxy-2-[[5-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenoxy]-2-oxohexoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[2-[4-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-2-oxoethoxy]-3-methoxy-5-methylphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 4-[[4-[3-[[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]amino]propoxy]-3-methoxy-5-methylphenyl]diazenyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;3-[7-[[4-[6-[4-[(E)-3-(2-chloro-4-methylphenyl)prop-2-enoyl]-5-hydroxy-2-[[5-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenoxy]-2-oxohexoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[2-[4-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-2-oxoethoxy]-3-methoxy-5-methylphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 4-[[4-[3-[[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]amino]propoxy]-3-methoxy-5-methylphenyl]diazenyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;3-[7-[[4-[6-[4-[(E)-3-(2-chloro-4-methylphenyl)prop-2-enoyl]-5-hydroxy-2-[[5-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenoxy]-2-oxohexoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[2-[4-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-2-oxoethoxy]-3-methoxy-5-methylphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is C=C1CCC(N2Cc3c(/N=N/c4cc(C)c(OCCCNC5(C)CCN(c6cnc(-c7cccc(Cl)c7Cl)c(N)n6)CC5)c(OC)c4)cccc3C2=O)C(=O)N1.COc1cc(/N=N/c2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)cc(OC)c1OCC(=O)CCCCOc1cc(O)c(C(=O)/C=C/c2ccc(C)cc2Cl)cc1CN1CCC=C(n2c(=O)[nH]c3ccccc32)C1.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CCN(C(=O)COc2c(C)cc(/N=N/c3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2OC)CC1.

What is the InChIKey of 4-[[4-[3-[[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]amino]propoxy]-3-methoxy-5-methylphenyl]diazenyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;3-[7-[[4-[6-[4-[(E)-3-(2-chloro-4-methylphenyl)prop-2-enoyl]-5-hydroxy-2-[[5-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenoxy]-2-oxohexoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[2-[4-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-2-oxoethoxy]-3-methoxy-5-methylphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is ZRIOZRDRKQJICL-ODFUFRAGSA-N. The full InChI is InChI=1S/C56H54ClN7O11.C46H48FN9O8.C41H45Cl2N9O4/c1-33-16-17-34(42(57)24-33)18-20-47(66)40-25-35(29-62-22-9-10-37(30-62)64-45-15-5-4-13-44(45)58-56(64)71)49(28-48(40)67)74-23-7-6-11-38(65)32-75-53-50(72-2)26-36(27-51(53)73-3)60-61-43-14-8-12-39-41(43)31-63(55(39)70)46-19-21-52(68)59-54(46)69;1-27-19-29(9-10-34(27)47)50-44-32-22-39(38(61-3)23-36(32)48-26-49-44)63-18-6-13-54-14-16-55(17-15-54)42(58)25-64-43-28(2)20-30(21-40(43)62-4)52-53-35-8-5-7-31-33(35)24-56(46(31)60)37-11-12-41(57)51-45(37)59;1-24-20-26(49-50-31-11-6-8-27-29(31)23-52(40(27)54)32-13-12-25(2)47-39(32)53)21-33(55-4)37(24)56-19-7-16-46-41(3)14-17-51(18-15-41)34-22-45-36(38(44)48-34)28-9-5-10-30(42)35(28)43/h4-5,8,10,12-18,20,24-28,46,67H,6-7,9,11,19,21-23,29-32H2,1-3H3,(H,58,71)(H,59,68,69);5,7-10,19-23,26,37H,6,11-18,24-25H2,1-4H3,(H,48,49,50)(H,51,57,59);5-6,8-11,20-22,32,46H,2,7,12-19,23H2,1,3-4H3,(H2,44,48)(H,47,53)/b20-18+,61-60+;53-52+;50-49+.

What are the key properties of 4-[[4-[3-[[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]amino]propoxy]-3-methoxy-5-methylphenyl]diazenyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;3-[7-[[4-[6-[4-[(E)-3-(2-chloro-4-methylphenyl)prop-2-enoyl]-5-hydroxy-2-[[5-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenoxy]-2-oxohexoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[2-[4-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-2-oxoethoxy]-3-methoxy-5-methylphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

4-[[4-[3-[[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]amino]propoxy]-3-methoxy-5-methylphenyl]diazenyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;3-[7-[[4-[6-[4-[(E)-3-(2-chloro-4-methylphenyl)prop-2-enoyl]-5-hydroxy-2-[[5-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenoxy]-2-oxohexoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[2-[4-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-2-oxoethoxy]-3-methoxy-5-methylphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 2709.26 g/mol, XLogP of 23.28, 47 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-[3-[[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]amino]propoxy]-3-methoxy-5-methylphenyl]diazenyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;3-[7-[[4-[6-[4-[(E)-3-(2-chloro-4-methylphenyl)prop-2-enoyl]-5-hydroxy-2-[[5-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenoxy]-2-oxohexoxy]-3,5-dimethoxyphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[2-[4-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-2-oxoethoxy]-3-methoxy-5-methylphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 165109305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).