4-[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide;4-[4-(1,5-dimethyl-6-methylidene-3-pyridinyl)-2,6-dimethoxyphenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide

C157H198N24O23 — CID 158155782

About 4-[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide;4-[4-(1,5-dimethyl-6-methylidene-3-pyridinyl)-2,6-dimethoxyphenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide

4-[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide;4-[4-(1,5-dimethyl-6-methylidene-3-pyridinyl)-2,6-dimethoxyphenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide (PubChem CID 158155782) has the molecular formula C157H198N24O23 and a molecular weight of 2789.46 g/mol. Its IUPAC name is 4-[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide;4-[4-(1,5-dimethyl-6-methylidene-3-pyridinyl)-2,6-dimethoxyphenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide.

Molecular Properties

• Compound Name: 4-[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide;4-[4-(1,5-dimethyl-6-methylidene-3-pyridinyl)-2,6-dimethoxyphenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide
• PubChem CID: 158155782
• Molecular Formula: C157H198N24O23
• Molecular Weight: 2789.46 g/mol
• Exact Mass: 2787.51
• IUPAC Name: 4-[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide;4-[4-(1,5-dimethyl-6-methylidene-3-pyridinyl)-2,6-dimethoxyphenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide
• SMILES: C=C1C(C)=CC(c2cc(OC)c(CCCC(=O)NCCCN3CCN(c4ccc(NC5CCC(=O)CC5=O)cc4)CC3)c(OC)c2)=CN1C.COc1cc(-c2cn(C)c(=O)c3c2C=NC3)cc(OC)c1CCCC(=O)NCCCN1CCN(c2ccc(NC3CCC(=O)CC3=O)cc2)CC1.COc1cc(-c2cn(C)c(=O)c3c2ccn3C)cc(OC)c1CCCC(=O)NCCCN1CCN(c2ccc(NC3CCC(=O)CC3=O)cc2)CC1.COc1cc(-c2cn(C)c(=O)c3c2cnn3C)cc(OC)c1CCCC(=O)NCCCN1CCN(c2ccc(NC3CCC(=O)CC3=O)cc2)CC1
• InChI: InChI=1S/C40H50N6O6.C39H49N7O6.C39H48N6O6.C39H51N5O5/c1-43-18-15-31-33(26-44(2)40(50)39(31)43)27-23-36(51-3)32(37(24-27)52-4)7-5-8-38(49)41-16-6-17-45-19-21-46(22-20-45)29-11-9-28(10-12-29)42-34-14-13-30(47)25-35(34)48;1-43-25-32(31-24-41-44(2)38(31)39(43)50)26-21-35(51-3)30(36(22-26)52-4)7-5-8-37(49)40-15-6-16-45-17-19-46(20-18-45)28-11-9-27(10-12-28)42-33-14-13-29(47)23-34(33)48;1-43-25-33(31-23-40-24-32(31)39(43)49)26-20-36(50-2)30(37(21-26)51-3)6-4-7-38(48)41-14-5-15-44-16-18-45(19-17-44)28-10-8-27(9-11-28)42-34-13-12-29(46)22-35(34)47;1-27-22-30(26-42(3)28(27)2)29-23-37(48-4)34(38(24-29)49-5)8-6-9-39(47)40-16-7-17-43-18-20-44(21-19-43)32-12-10-31(11-13-32)41-35-15-14-33(45)25-36(35)46/h9-12,15,18,23-24,26,34,42H,5-8,13-14,16-17,19-22,25H2,1-4H3,(H,41,49);9-12,21-22,24-25,33,42H,5-8,13-20,23H2,1-4H3,(H,40,49);8-11,20-21,23,25,34,42H,4-7,12-19,22,24H2,1-3H3,(H,41,48);10-13,22-24,26,35,41H,2,6-9,14-21,25H2,1,3-5H3,(H,40,47)
• InChIKey: FVQYOEPQWZJZKK-UHFFFAOYSA-N
• XLogP: 16.98
• TPSA: 505.19 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 43
• Rotatable Bonds: 56
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2789.46
LogP ≤ 5	16.98
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide;4-[4-(1,5-dimethyl-6-methylidene-3-pyridinyl)-2,6-dimethoxyphenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide?

The IUPAC name of 4-[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide;4-[4-(1,5-dimethyl-6-methylidene-3-pyridinyl)-2,6-dimethoxyphenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide (CID 158155782) is 4-[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide;4-[4-(1,5-dimethyl-6-methylidene-3-pyridinyl)-2,6-dimethoxyphenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide.

What is the SMILES notation for 4-[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide;4-[4-(1,5-dimethyl-6-methylidene-3-pyridinyl)-2,6-dimethoxyphenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide?

The canonical SMILES for 4-[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide;4-[4-(1,5-dimethyl-6-methylidene-3-pyridinyl)-2,6-dimethoxyphenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide is C=C1C(C)=CC(c2cc(OC)c(CCCC(=O)NCCCN3CCN(c4ccc(NC5CCC(=O)CC5=O)cc4)CC3)c(OC)c2)=CN1C.COc1cc(-c2cn(C)c(=O)c3c2C=NC3)cc(OC)c1CCCC(=O)NCCCN1CCN(c2ccc(NC3CCC(=O)CC3=O)cc2)CC1.COc1cc(-c2cn(C)c(=O)c3c2ccn3C)cc(OC)c1CCCC(=O)NCCCN1CCN(c2ccc(NC3CCC(=O)CC3=O)cc2)CC1.COc1cc(-c2cn(C)c(=O)c3c2cnn3C)cc(OC)c1CCCC(=O)NCCCN1CCN(c2ccc(NC3CCC(=O)CC3=O)cc2)CC1.

What is the InChIKey of 4-[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide;4-[4-(1,5-dimethyl-6-methylidene-3-pyridinyl)-2,6-dimethoxyphenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide?

The InChIKey is FVQYOEPQWZJZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H50N6O6.C39H49N7O6.C39H48N6O6.C39H51N5O5/c1-43-18-15-31-33(26-44(2)40(50)39(31)43)27-23-36(51-3)32(37(24-27)52-4)7-5-8-38(49)41-16-6-17-45-19-21-46(22-20-45)29-11-9-28(10-12-29)42-34-14-13-30(47)25-35(34)48;1-43-25-32(31-24-41-44(2)38(31)39(43)50)26-21-35(51-3)30(36(22-26)52-4)7-5-8-37(49)40-15-6-16-45-17-19-46(20-18-45)28-11-9-27(10-12-28)42-33-14-13-29(47)23-34(33)48;1-43-25-33(31-23-40-24-32(31)39(43)49)26-20-36(50-2)30(37(21-26)51-3)6-4-7-38(48)41-14-5-15-44-16-18-45(19-17-44)28-10-8-27(9-11-28)42-34-13-12-29(46)22-35(34)47;1-27-22-30(26-42(3)28(27)2)29-23-37(48-4)34(38(24-29)49-5)8-6-9-39(47)40-16-7-17-43-18-20-44(21-19-43)32-12-10-31(11-13-32)41-35-15-14-33(45)25-36(35)46/h9-12,15,18,23-24,26,34,42H,5-8,13-14,16-17,19-22,25H2,1-4H3,(H,41,49);9-12,21-22,24-25,33,42H,5-8,13-20,23H2,1-4H3,(H,40,49);8-11,20-21,23,25,34,42H,4-7,12-19,22,24H2,1-3H3,(H,41,48);10-13,22-24,26,35,41H,2,6-9,14-21,25H2,1,3-5H3,(H,40,47).

What are the key properties of 4-[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide;4-[4-(1,5-dimethyl-6-methylidene-3-pyridinyl)-2,6-dimethoxyphenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide?

4-[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide;4-[4-(1,5-dimethyl-6-methylidene-3-pyridinyl)-2,6-dimethoxyphenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide has a molecular weight of 2789.46 g/mol, XLogP of 16.98, 56 rotatable bonds, 8 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide;4-[4-(1,5-dimethyl-6-methylidene-3-pyridinyl)-2,6-dimethoxyphenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperazin-1-yl]propyl]butanamide is sourced from PubChem (CID 158155782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).