4-anilino-6-[6-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2-methoxy-6-methylphenoxy]propylcarbamoyl]-3-pyridinyl]-N-methylquinoline-3-carboxamide;N-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2-methoxy-6-methylphenoxy]propyl]-4-[2-methoxy-6-methyl-4-(6-methyl-7-methylidene-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]butanamide;N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-N-methylanilino]-4-oxopentyl]-4-[2-methoxy-6-methyl-4-(6-methyl-7-methylidene-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]butanamide

C136H140N26O20 — CID 165073358

About 4-anilino-6-[6-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2-methoxy-6-methylphenoxy]propylcarbamoyl]-3-pyridinyl]-N-methylquinoline-3-carboxamide;N-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2-methoxy-6-methylphenoxy]propyl]-4-[2-methoxy-6-methyl-4-(6-methyl-7-methylidene-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]butanamide;N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-N-methylanilino]-4-oxopentyl]-4-[2-methoxy-6-methyl-4-(6-methyl-7-methylidene-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]butanamide

4-anilino-6-[6-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2-methoxy-6-methylphenoxy]propylcarbamoyl]-3-pyridinyl]-N-methylquinoline-3-carboxamide;N-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2-methoxy-6-methylphenoxy]propyl]-4-[2-methoxy-6-methyl-4-(6-methyl-7-methylidene-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]butanamide;N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-N-methylanilino]-4-oxopentyl]-4-[2-methoxy-6-methyl-4-(6-methyl-7-methylidene-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]butanamide (PubChem CID 165073358) has the molecular formula C136H140N26O20 and a molecular weight of 2458.78 g/mol. Its IUPAC name is 4-anilino-6-[6-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2-methoxy-6-methylphenoxy]propylcarbamoyl]-3-pyridinyl]-N-methylquinoline-3-carboxamide;N-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2-methoxy-6-methylphenoxy]propyl]-4-[2-methoxy-6-methyl-4-(6-methyl-7-methylidene-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]butanamide;N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-N-methylanilino]-4-oxopentyl]-4-[2-methoxy-6-methyl-4-(6-methyl-7-methylidene-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]butanamide.

Molecular Properties

• Compound Name: 4-anilino-6-[6-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2-methoxy-6-methylphenoxy]propylcarbamoyl]-3-pyridinyl]-N-methylquinoline-3-carboxamide;N-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2-methoxy-6-methylphenoxy]propyl]-4-[2-methoxy-6-methyl-4-(6-methyl-7-methylidene-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]butanamide;N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-N-methylanilino]-4-oxopentyl]-4-[2-methoxy-6-methyl-4-(6-methyl-7-methylidene-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]butanamide
• PubChem CID: 165073358
• Molecular Formula: C136H140N26O20
• Molecular Weight: 2458.78 g/mol
• Exact Mass: 2457.07
• IUPAC Name: 4-anilino-6-[6-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2-methoxy-6-methylphenoxy]propylcarbamoyl]-3-pyridinyl]-N-methylquinoline-3-carboxamide;N-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2-methoxy-6-methylphenoxy]propyl]-4-[2-methoxy-6-methyl-4-(6-methyl-7-methylidene-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]butanamide;N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-N-methylanilino]-4-oxopentyl]-4-[2-methoxy-6-methyl-4-(6-methyl-7-methylidene-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]butanamide
• SMILES: C=C1c2[nH]ncc2C(c2cc(C)c(CCCC(=O)NCCCC(=O)CN(C)c3ccc(/N=N/c4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)cc3)c(OC)c2)=CN1C.C=C1c2[nH]ncc2C(c2cc(C)c(CCCC(=O)NCCCOc3c(C)cc(/N=N/c4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)cc3OC)c(OC)c2)=CN1C.CNC(=O)c1cnc2ccc(-c3ccc(C(=O)NCCCOc4c(C)cc(/N=N/c5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)cc4OC)nc3)cc2c1Nc1ccccc1
• InChI: InChI=1S/C47H43N9O7.C45H49N9O6.C44H48N8O7/c1-27-21-31(54-55-37-12-7-11-32-35(37)26-56(47(32)61)39-17-18-41(57)53-46(39)60)23-40(62-3)43(27)63-20-8-19-49-45(59)38-16-14-29(24-50-38)28-13-15-36-33(22-28)42(34(25-51-36)44(58)48-2)52-30-9-5-4-6-10-30;1-27-21-29(36-25-52(3)28(2)43-35(36)23-47-51-43)22-40(60-5)33(27)10-7-13-41(56)46-20-8-9-32(55)24-53(4)31-16-14-30(15-17-31)49-50-38-12-6-11-34-37(38)26-54(45(34)59)39-18-19-42(57)48-44(39)58;1-25-18-28(33-23-51(4)27(3)41-32(33)22-46-50-41)20-37(57-5)30(25)10-8-13-39(53)45-16-9-17-59-42-26(2)19-29(21-38(42)58-6)48-49-35-12-7-11-31-34(35)24-52(44(31)56)36-14-15-40(54)47-43(36)55/h4-7,9-16,21-25,39H,8,17-20,26H2,1-3H3,(H,48,58)(H,49,59)(H,51,52)(H,53,57,60);6,11-12,14-17,21-23,25,39H,2,7-10,13,18-20,24,26H2,1,3-5H3,(H,46,56)(H,47,51)(H,48,57,58);7,11-12,18-23,36H,3,8-10,13-17,24H2,1-2,4-6H3,(H,45,53)(H,46,50)(H,47,54,55)/b55-54+;50-49+;49-48+
• InChIKey: TWYLCEJJGFMDOE-NZTAZFBPSA-N
• XLogP: 19.66
• TPSA: 567.34 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 34
• Rotatable Bonds: 45
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2458.78
LogP ≤ 5	19.66
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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'}

Frequently Asked Questions

What is the IUPAC name of 4-anilino-6-[6-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2-methoxy-6-methylphenoxy]propylcarbamoyl]-3-pyridinyl]-N-methylquinoline-3-carboxamide;N-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2-methoxy-6-methylphenoxy]propyl]-4-[2-methoxy-6-methyl-4-(6-methyl-7-methylidene-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]butanamide;N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-N-methylanilino]-4-oxopentyl]-4-[2-methoxy-6-methyl-4-(6-methyl-7-methylidene-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]butanamide?

The IUPAC name of 4-anilino-6-[6-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2-methoxy-6-methylphenoxy]propylcarbamoyl]-3-pyridinyl]-N-methylquinoline-3-carboxamide;N-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2-methoxy-6-methylphenoxy]propyl]-4-[2-methoxy-6-methyl-4-(6-methyl-7-methylidene-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]butanamide;N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-N-methylanilino]-4-oxopentyl]-4-[2-methoxy-6-methyl-4-(6-methyl-7-methylidene-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]butanamide (CID 165073358) is 4-anilino-6-[6-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2-methoxy-6-methylphenoxy]propylcarbamoyl]-3-pyridinyl]-N-methylquinoline-3-carboxamide;N-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2-methoxy-6-methylphenoxy]propyl]-4-[2-methoxy-6-methyl-4-(6-methyl-7-methylidene-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]butanamide;N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-N-methylanilino]-4-oxopentyl]-4-[2-methoxy-6-methyl-4-(6-methyl-7-methylidene-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]butanamide.

What is the SMILES notation for 4-anilino-6-[6-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2-methoxy-6-methylphenoxy]propylcarbamoyl]-3-pyridinyl]-N-methylquinoline-3-carboxamide;N-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2-methoxy-6-methylphenoxy]propyl]-4-[2-methoxy-6-methyl-4-(6-methyl-7-methylidene-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]butanamide;N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-N-methylanilino]-4-oxopentyl]-4-[2-methoxy-6-methyl-4-(6-methyl-7-methylidene-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]butanamide?

The canonical SMILES for 4-anilino-6-[6-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2-methoxy-6-methylphenoxy]propylcarbamoyl]-3-pyridinyl]-N-methylquinoline-3-carboxamide;N-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2-methoxy-6-methylphenoxy]propyl]-4-[2-methoxy-6-methyl-4-(6-methyl-7-methylidene-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]butanamide;N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-N-methylanilino]-4-oxopentyl]-4-[2-methoxy-6-methyl-4-(6-methyl-7-methylidene-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]butanamide is C=C1c2[nH]ncc2C(c2cc(C)c(CCCC(=O)NCCCC(=O)CN(C)c3ccc(/N=N/c4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)cc3)c(OC)c2)=CN1C.C=C1c2[nH]ncc2C(c2cc(C)c(CCCC(=O)NCCCOc3c(C)cc(/N=N/c4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)cc3OC)c(OC)c2)=CN1C.CNC(=O)c1cnc2ccc(-c3ccc(C(=O)NCCCOc4c(C)cc(/N=N/c5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)cc4OC)nc3)cc2c1Nc1ccccc1.

What is the InChIKey of 4-anilino-6-[6-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2-methoxy-6-methylphenoxy]propylcarbamoyl]-3-pyridinyl]-N-methylquinoline-3-carboxamide;N-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2-methoxy-6-methylphenoxy]propyl]-4-[2-methoxy-6-methyl-4-(6-methyl-7-methylidene-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]butanamide;N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-N-methylanilino]-4-oxopentyl]-4-[2-methoxy-6-methyl-4-(6-methyl-7-methylidene-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]butanamide?

The InChIKey is TWYLCEJJGFMDOE-NZTAZFBPSA-N. The full InChI is InChI=1S/C47H43N9O7.C45H49N9O6.C44H48N8O7/c1-27-21-31(54-55-37-12-7-11-32-35(37)26-56(47(32)61)39-17-18-41(57)53-46(39)60)23-40(62-3)43(27)63-20-8-19-49-45(59)38-16-14-29(24-50-38)28-13-15-36-33(22-28)42(34(25-51-36)44(58)48-2)52-30-9-5-4-6-10-30;1-27-21-29(36-25-52(3)28(2)43-35(36)23-47-51-43)22-40(60-5)33(27)10-7-13-41(56)46-20-8-9-32(55)24-53(4)31-16-14-30(15-17-31)49-50-38-12-6-11-34-37(38)26-54(45(34)59)39-18-19-42(57)48-44(39)58;1-25-18-28(33-23-51(4)27(3)41-32(33)22-46-50-41)20-37(57-5)30(25)10-8-13-39(53)45-16-9-17-59-42-26(2)19-29(21-38(42)58-6)48-49-35-12-7-11-31-34(35)24-52(44(31)56)36-14-15-40(54)47-43(36)55/h4-7,9-16,21-25,39H,8,17-20,26H2,1-3H3,(H,48,58)(H,49,59)(H,51,52)(H,53,57,60);6,11-12,14-17,21-23,25,39H,2,7-10,13,18-20,24,26H2,1,3-5H3,(H,46,56)(H,47,51)(H,48,57,58);7,11-12,18-23,36H,3,8-10,13-17,24H2,1-2,4-6H3,(H,45,53)(H,46,50)(H,47,54,55)/b55-54+;50-49+;49-48+.

What are the key properties of 4-anilino-6-[6-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2-methoxy-6-methylphenoxy]propylcarbamoyl]-3-pyridinyl]-N-methylquinoline-3-carboxamide;N-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2-methoxy-6-methylphenoxy]propyl]-4-[2-methoxy-6-methyl-4-(6-methyl-7-methylidene-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]butanamide;N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-N-methylanilino]-4-oxopentyl]-4-[2-methoxy-6-methyl-4-(6-methyl-7-methylidene-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]butanamide?

4-anilino-6-[6-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2-methoxy-6-methylphenoxy]propylcarbamoyl]-3-pyridinyl]-N-methylquinoline-3-carboxamide;N-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2-methoxy-6-methylphenoxy]propyl]-4-[2-methoxy-6-methyl-4-(6-methyl-7-methylidene-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]butanamide;N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-N-methylanilino]-4-oxopentyl]-4-[2-methoxy-6-methyl-4-(6-methyl-7-methylidene-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]butanamide has a molecular weight of 2458.78 g/mol, XLogP of 19.66, 45 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 4-anilino-6-[6-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2-methoxy-6-methylphenoxy]propylcarbamoyl]-3-pyridinyl]-N-methylquinoline-3-carboxamide;N-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2-methoxy-6-methylphenoxy]propyl]-4-[2-methoxy-6-methyl-4-(6-methyl-7-methylidene-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]butanamide;N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-N-methylanilino]-4-oxopentyl]-4-[2-methoxy-6-methyl-4-(6-methyl-7-methylidene-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]butanamide is sourced from PubChem (CID 165073358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).