4-[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]-N-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]butanamide;4-[4-(4,6-dimethyl-5-methylidenepyrazin-2-yl)-2,6-dimethoxyphenyl]-N-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]butanamide

C136H169N21O31 — CID 157311218

About 4-[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]-N-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]butanamide;4-[4-(4,6-dimethyl-5-methylidenepyrazin-2-yl)-2,6-dimethoxyphenyl]-N-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]butanamide

4-[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]-N-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]butanamide;4-[4-(4,6-dimethyl-5-methylidenepyrazin-2-yl)-2,6-dimethoxyphenyl]-N-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]butanamide (PubChem CID 157311218) has the molecular formula C136H169N21O31 and a molecular weight of 2593.96 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-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]butanamide;4-[4-(4,6-dimethyl-5-methylidenepyrazin-2-yl)-2,6-dimethoxyphenyl]-N-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]butanamide.

Molecular Properties

• Compound Name: 4-[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]-N-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]butanamide;4-[4-(4,6-dimethyl-5-methylidenepyrazin-2-yl)-2,6-dimethoxyphenyl]-N-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]butanamide
• PubChem CID: 157311218
• Molecular Formula: C136H169N21O31
• Molecular Weight: 2593.96 g/mol
• Exact Mass: 2592.23
• IUPAC Name: 4-[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]-N-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]butanamide;4-[4-(4,6-dimethyl-5-methylidenepyrazin-2-yl)-2,6-dimethoxyphenyl]-N-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]butanamide
• SMILES: C=C1C(C)=NC(c2cc(OC)c(CCCC(=O)NCCCC(=O)N3CCN(C4CCC(=O)CC4=O)C(=O)C3)c(OC)c2)=CN1C.COc1cc(-c2cn(C)c(=O)c3c2C=NC3)cc(OC)c1CCCC(=O)NCCCC(=O)N1CCN(C2CCC(=O)CC2=O)C(=O)C1.COc1cc(-c2cn(C)c(=O)c3c2ccn3C)cc(OC)c1CCCC(=O)NCCCC(=O)N1CCN(C2CCC(=O)CC2=O)C(=O)C1.COc1cc(-c2cn(C)c(=O)c3c2cnn3C)cc(OC)c1CCCC(=O)NCCCC(=O)N1CCN(C2CCC(=O)CC2=O)C(=O)C1
• InChI: InChI=1S/C35H43N5O8.C34H42N6O8.C34H41N5O8.C33H43N5O7/c1-37-14-12-24-26(20-38(2)35(46)34(24)37)22-17-29(47-3)25(30(18-22)48-4)7-5-8-31(43)36-13-6-9-32(44)39-15-16-40(33(45)21-39)27-11-10-23(41)19-28(27)42;1-37-19-25(24-18-36-38(2)33(24)34(37)46)21-15-28(47-3)23(29(16-21)48-4)7-5-8-30(43)35-12-6-9-31(44)39-13-14-40(32(45)20-39)26-11-10-22(41)17-27(26)42;1-37-19-26(24-17-35-18-25(24)34(37)45)21-14-29(46-2)23(30(15-21)47-3)6-4-7-31(42)36-11-5-8-32(43)38-12-13-39(33(44)20-38)27-10-9-22(40)16-28(27)41;1-21-22(2)36(3)19-26(35-21)23-16-29(44-4)25(30(17-23)45-5)8-6-9-31(41)34-13-7-10-32(42)37-14-15-38(33(43)20-37)27-12-11-24(39)18-28(27)40/h12,14,17-18,20,27H,5-11,13,15-16,19,21H2,1-4H3,(H,36,43);15-16,18-19,26H,5-14,17,20H2,1-4H3,(H,35,43);14-15,17,19,27H,4-13,16,18,20H2,1-3H3,(H,36,42);16-17,19,27H,2,6-15,18,20H2,1,3-5H3,(H,34,41)
• InChIKey: BDBGHHRYFQQXHN-UHFFFAOYSA-N
• XLogP: 7.76
• TPSA: 605.99 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 40
• Rotatable Bonds: 48
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2593.96
LogP ≤ 5	7.76
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'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-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]butanamide;4-[4-(4,6-dimethyl-5-methylidenepyrazin-2-yl)-2,6-dimethoxyphenyl]-N-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]butanamide?

The IUPAC name of 4-[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]-N-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]butanamide;4-[4-(4,6-dimethyl-5-methylidenepyrazin-2-yl)-2,6-dimethoxyphenyl]-N-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]butanamide (CID 157311218) is 4-[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]-N-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]butanamide;4-[4-(4,6-dimethyl-5-methylidenepyrazin-2-yl)-2,6-dimethoxyphenyl]-N-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]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-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]butanamide;4-[4-(4,6-dimethyl-5-methylidenepyrazin-2-yl)-2,6-dimethoxyphenyl]-N-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]butanamide?

The canonical SMILES for 4-[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]-N-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]butanamide;4-[4-(4,6-dimethyl-5-methylidenepyrazin-2-yl)-2,6-dimethoxyphenyl]-N-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]butanamide is C=C1C(C)=NC(c2cc(OC)c(CCCC(=O)NCCCC(=O)N3CCN(C4CCC(=O)CC4=O)C(=O)C3)c(OC)c2)=CN1C.COc1cc(-c2cn(C)c(=O)c3c2C=NC3)cc(OC)c1CCCC(=O)NCCCC(=O)N1CCN(C2CCC(=O)CC2=O)C(=O)C1.COc1cc(-c2cn(C)c(=O)c3c2ccn3C)cc(OC)c1CCCC(=O)NCCCC(=O)N1CCN(C2CCC(=O)CC2=O)C(=O)C1.COc1cc(-c2cn(C)c(=O)c3c2cnn3C)cc(OC)c1CCCC(=O)NCCCC(=O)N1CCN(C2CCC(=O)CC2=O)C(=O)C1.

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

The InChIKey is BDBGHHRYFQQXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H43N5O8.C34H42N6O8.C34H41N5O8.C33H43N5O7/c1-37-14-12-24-26(20-38(2)35(46)34(24)37)22-17-29(47-3)25(30(18-22)48-4)7-5-8-31(43)36-13-6-9-32(44)39-15-16-40(33(45)21-39)27-11-10-23(41)19-28(27)42;1-37-19-25(24-18-36-38(2)33(24)34(37)46)21-15-28(47-3)23(29(16-21)48-4)7-5-8-30(43)35-12-6-9-31(44)39-13-14-40(32(45)20-39)26-11-10-22(41)17-27(26)42;1-37-19-26(24-17-35-18-25(24)34(37)45)21-14-29(46-2)23(30(15-21)47-3)6-4-7-31(42)36-11-5-8-32(43)38-12-13-39(33(44)20-38)27-10-9-22(40)16-28(27)41;1-21-22(2)36(3)19-26(35-21)23-16-29(44-4)25(30(17-23)45-5)8-6-9-31(41)34-13-7-10-32(42)37-14-15-38(33(43)20-37)27-12-11-24(39)18-28(27)40/h12,14,17-18,20,27H,5-11,13,15-16,19,21H2,1-4H3,(H,36,43);15-16,18-19,26H,5-14,17,20H2,1-4H3,(H,35,43);14-15,17,19,27H,4-13,16,18,20H2,1-3H3,(H,36,42);16-17,19,27H,2,6-15,18,20H2,1,3-5H3,(H,34,41).

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-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]butanamide;4-[4-(4,6-dimethyl-5-methylidenepyrazin-2-yl)-2,6-dimethoxyphenyl]-N-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]butanamide?

4-[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]-N-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]butanamide;4-[4-(4,6-dimethyl-5-methylidenepyrazin-2-yl)-2,6-dimethoxyphenyl]-N-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]butanamide has a molecular weight of 2593.96 g/mol, XLogP of 7.76, 48 rotatable bonds, 4 hydrogen bond donors, and 40 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-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]butanamide;4-[4-(4,6-dimethyl-5-methylidenepyrazin-2-yl)-2,6-dimethoxyphenyl]-N-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]butanamide;4-[4-(1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridin-4-yl)-2,6-dimethoxyphenyl]-N-[4-[4-(2,4-dioxocyclohexyl)-3-oxopiperazin-1-yl]-4-oxobutyl]butanamide is sourced from PubChem (CID 157311218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).