4-[[1-[1-(adamantane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-cyclohexylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(4,4-dimethylpentanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(4-methylpentanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione

C153H186N30O20 — CID 160845472

About 4-[[1-[1-(adamantane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-cyclohexylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(4,4-dimethylpentanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(4-methylpentanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione

4-[[1-[1-(adamantane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-cyclohexylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(4,4-dimethylpentanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(4-methylpentanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione (PubChem CID 160845472) has the molecular formula C153H186N30O20 and a molecular weight of 2765.36 g/mol. Its IUPAC name is 4-[[1-[1-(adamantane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-cyclohexylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(4,4-dimethylpentanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(4-methylpentanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 4-[[1-[1-(adamantane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-cyclohexylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(4,4-dimethylpentanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(4-methylpentanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
• PubChem CID: 160845472
• Molecular Formula: C153H186N30O20
• Molecular Weight: 2765.36 g/mol
• Exact Mass: 2763.45
• IUPAC Name: 4-[[1-[1-(adamantane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-cyclohexylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(4,4-dimethylpentanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(4-methylpentanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
• SMILES: C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C6(C)CCC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C67CC8CC(CC(C8)C6)C7)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)CC6CCCCC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)CCC(C)(C)C)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)CCC(C)C)CC5)c4)c3C2=O)C(=O)N1
• InChI: InChI=1S/C34H40N6O4.C31H38N6O4.C30H38N6O4.C29H34N6O4.C29H36N6O4/c1-20-5-6-28(30(41)37-20)40-31(42)26-3-2-4-27(29(26)32(40)43)35-17-24-18-36-39(19-24)25-7-9-38(10-8-25)33(44)34-14-21-11-22(15-34)13-23(12-21)16-34;1-20-10-11-26(29(39)34-20)37-30(40)24-8-5-9-25(28(24)31(37)41)32-17-22-18-33-36(19-22)23-12-14-35(15-13-23)27(38)16-21-6-3-2-4-7-21;1-19-8-9-24(27(38)33-19)36-28(39)22-6-5-7-23(26(22)29(36)40)31-16-20-17-32-35(18-20)21-11-14-34(15-12-21)25(37)10-13-30(2,3)4;1-18-7-8-23(25(36)32-18)35-26(37)21-5-3-6-22(24(21)27(35)38)30-15-19-16-31-34(17-19)20-9-13-33(14-10-20)28(39)29(2)11-4-12-29;1-18(2)7-10-25(36)33-13-11-21(12-14-33)34-17-20(16-31-34)15-30-23-6-4-5-22-26(23)29(39)35(28(22)38)24-9-8-19(3)32-27(24)37/h2-4,18-19,21-23,25,28,35H,1,5-17H2,(H,37,41);5,8-9,18-19,21,23,26,32H,1-4,6-7,10-17H2,(H,34,39);5-7,17-18,21,24,31H,1,8-16H2,2-4H3,(H,33,38);3,5-6,16-17,20,23,30H,1,4,7-15H2,2H3,(H,32,36);4-6,16-18,21,24,30H,3,7-15H2,1-2H3,(H,32,37)
• InChIKey: SIOWVBKWVUXYFK-UHFFFAOYSA-N
• XLogP: 18.87
• TPSA: 583.20 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 35
• Rotatable Bonds: 34
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2765.36
LogP ≤ 5	18.87
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[1-(adamantane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-cyclohexylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(4,4-dimethylpentanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(4-methylpentanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?

The IUPAC name of 4-[[1-[1-(adamantane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-cyclohexylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(4,4-dimethylpentanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(4-methylpentanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione (CID 160845472) is 4-[[1-[1-(adamantane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-cyclohexylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(4,4-dimethylpentanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(4-methylpentanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione.

What is the SMILES notation for 4-[[1-[1-(adamantane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-cyclohexylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(4,4-dimethylpentanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(4-methylpentanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?

The canonical SMILES for 4-[[1-[1-(adamantane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-cyclohexylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(4,4-dimethylpentanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(4-methylpentanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione is C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C6(C)CCC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C67CC8CC(CC(C8)C6)C7)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)CC6CCCCC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)CCC(C)(C)C)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)CCC(C)C)CC5)c4)c3C2=O)C(=O)N1.

What is the InChIKey of 4-[[1-[1-(adamantane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-cyclohexylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(4,4-dimethylpentanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(4-methylpentanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?

The InChIKey is SIOWVBKWVUXYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N6O4.C31H38N6O4.C30H38N6O4.C29H34N6O4.C29H36N6O4/c1-20-5-6-28(30(41)37-20)40-31(42)26-3-2-4-27(29(26)32(40)43)35-17-24-18-36-39(19-24)25-7-9-38(10-8-25)33(44)34-14-21-11-22(15-34)13-23(12-21)16-34;1-20-10-11-26(29(39)34-20)37-30(40)24-8-5-9-25(28(24)31(37)41)32-17-22-18-33-36(19-22)23-12-14-35(15-13-23)27(38)16-21-6-3-2-4-7-21;1-19-8-9-24(27(38)33-19)36-28(39)22-6-5-7-23(26(22)29(36)40)31-16-20-17-32-35(18-20)21-11-14-34(15-12-21)25(37)10-13-30(2,3)4;1-18-7-8-23(25(36)32-18)35-26(37)21-5-3-6-22(24(21)27(35)38)30-15-19-16-31-34(17-19)20-9-13-33(14-10-20)28(39)29(2)11-4-12-29;1-18(2)7-10-25(36)33-13-11-21(12-14-33)34-17-20(16-31-34)15-30-23-6-4-5-22-26(23)29(39)35(28(22)38)24-9-8-19(3)32-27(24)37/h2-4,18-19,21-23,25,28,35H,1,5-17H2,(H,37,41);5,8-9,18-19,21,23,26,32H,1-4,6-7,10-17H2,(H,34,39);5-7,17-18,21,24,31H,1,8-16H2,2-4H3,(H,33,38);3,5-6,16-17,20,23,30H,1,4,7-15H2,2H3,(H,32,36);4-6,16-18,21,24,30H,3,7-15H2,1-2H3,(H,32,37).

What are the key properties of 4-[[1-[1-(adamantane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-cyclohexylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(4,4-dimethylpentanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(4-methylpentanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?

4-[[1-[1-(adamantane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-cyclohexylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(4,4-dimethylpentanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(4-methylpentanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione has a molecular weight of 2765.36 g/mol, XLogP of 18.87, 34 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[1-[1-(adamantane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-cyclohexylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(4,4-dimethylpentanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(4-methylpentanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione is sourced from PubChem (CID 160845472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).