4-[[1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(1-methylcyclohexyl)methyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(1-methylcyclopentyl)methyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;bis(4-[[1-[1-[(1-methylcyclopropyl)methyl]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-spiro[3.3]heptan-2-ylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione

C176H218N36O18 — CID 159732285

About 4-[[1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(1-methylcyclohexyl)methyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(1-methylcyclopentyl)methyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;bis(4-[[1-[1-[(1-methylcyclopropyl)methyl]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-spiro[3.3]heptan-2-ylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione

4-[[1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(1-methylcyclohexyl)methyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(1-methylcyclopentyl)methyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;bis(4-[[1-[1-[(1-methylcyclopropyl)methyl]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-spiro[3.3]heptan-2-ylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione (PubChem CID 159732285) has the molecular formula C176H218N36O18 and a molecular weight of 3125.91 g/mol. Its IUPAC name is 4-[[1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(1-methylcyclohexyl)methyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(1-methylcyclopentyl)methyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;bis(4-[[1-[1-[(1-methylcyclopropyl)methyl]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-spiro[3.3]heptan-2-ylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 4-[[1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(1-methylcyclohexyl)methyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(1-methylcyclopentyl)methyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;bis(4-[[1-[1-[(1-methylcyclopropyl)methyl]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-spiro[3.3]heptan-2-ylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione
• PubChem CID: 159732285
• Molecular Formula: C176H218N36O18
• Molecular Weight: 3125.91 g/mol
• Exact Mass: 3123.72
• IUPAC Name: 4-[[1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(1-methylcyclohexyl)methyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(1-methylcyclopentyl)methyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;bis(4-[[1-[1-[(1-methylcyclopropyl)methyl]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-spiro[3.3]heptan-2-ylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione
• SMILES: C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C6CC7(CCC7)C6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(CC6(C)CC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(CC6(C)CC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(CC6(C)CCC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(CC6(C)CCCC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(CC6(C)CCCCC6)CC5)c4)c3C2=O)C(=O)N1
• InChI: InChI=1S/C31H40N6O3.C30H36N6O3.C30H38N6O3.C29H36N6O3.2C28H34N6O3/c1-21-9-10-26(28(38)34-21)37-29(39)24-7-6-8-25(27(24)30(37)40)32-17-22-18-33-36(19-22)23-11-15-35(16-12-23)20-31(2)13-4-3-5-14-31;1-19-6-7-25(27(37)33-19)36-28(38)23-4-2-5-24(26(23)29(36)39)31-16-20-17-32-35(18-20)21-8-12-34(13-9-21)22-14-30(15-22)10-3-11-30;1-20-8-9-25(27(37)33-20)36-28(38)23-6-5-7-24(26(23)29(36)39)31-16-21-17-32-35(18-21)22-10-14-34(15-11-22)19-30(2)12-3-4-13-30;1-19-7-8-24(26(36)32-19)35-27(37)22-5-3-6-23(25(22)28(35)38)30-15-20-16-31-34(17-20)21-9-13-33(14-10-21)18-29(2)11-4-12-29;2*1-18-6-7-23(25(35)31-18)34-26(36)21-4-3-5-22(24(21)27(34)37)29-14-19-15-30-33(16-19)20-8-12-32(13-9-20)17-28(2)10-11-28/h6-8,18-19,23,26,32H,1,3-5,9-17,20H2,2H3,(H,34,38);2,4-5,17-18,21-22,25,31H,1,3,6-16H2,(H,33,37);5-7,17-18,22,25,31H,1,3-4,8-16,19H2,2H3,(H,33,37);3,5-6,16-17,21,24,30H,1,4,7-15,18H2,2H3,(H,32,36);2*3-5,15-16,20,23,29H,1,6-14,17H2,2H3,(H,31,35)
• InChIKey: NBJLDWHVXALLDV-UHFFFAOYSA-N
• XLogP: 22.80
• TPSA: 597.42 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 42
• Rotatable Bonds: 41
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3125.91
LogP ≤ 5	22.80
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(1-methylcyclohexyl)methyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(1-methylcyclopentyl)methyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;bis(4-[[1-[1-[(1-methylcyclopropyl)methyl]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-spiro[3.3]heptan-2-ylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione?

The IUPAC name of 4-[[1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(1-methylcyclohexyl)methyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(1-methylcyclopentyl)methyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;bis(4-[[1-[1-[(1-methylcyclopropyl)methyl]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-spiro[3.3]heptan-2-ylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione (CID 159732285) is 4-[[1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(1-methylcyclohexyl)methyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(1-methylcyclopentyl)methyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;bis(4-[[1-[1-[(1-methylcyclopropyl)methyl]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-spiro[3.3]heptan-2-ylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione.

What is the SMILES notation for 4-[[1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(1-methylcyclohexyl)methyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(1-methylcyclopentyl)methyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;bis(4-[[1-[1-[(1-methylcyclopropyl)methyl]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-spiro[3.3]heptan-2-ylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione?

The canonical SMILES for 4-[[1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(1-methylcyclohexyl)methyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(1-methylcyclopentyl)methyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;bis(4-[[1-[1-[(1-methylcyclopropyl)methyl]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-spiro[3.3]heptan-2-ylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione is C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C6CC7(CCC7)C6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(CC6(C)CC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(CC6(C)CC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(CC6(C)CCC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(CC6(C)CCCC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(CC6(C)CCCCC6)CC5)c4)c3C2=O)C(=O)N1.

What is the InChIKey of 4-[[1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(1-methylcyclohexyl)methyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(1-methylcyclopentyl)methyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;bis(4-[[1-[1-[(1-methylcyclopropyl)methyl]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-spiro[3.3]heptan-2-ylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione?

The InChIKey is NBJLDWHVXALLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N6O3.C30H36N6O3.C30H38N6O3.C29H36N6O3.2C28H34N6O3/c1-21-9-10-26(28(38)34-21)37-29(39)24-7-6-8-25(27(24)30(37)40)32-17-22-18-33-36(19-22)23-11-15-35(16-12-23)20-31(2)13-4-3-5-14-31;1-19-6-7-25(27(37)33-19)36-28(38)23-4-2-5-24(26(23)29(36)39)31-16-20-17-32-35(18-20)21-8-12-34(13-9-21)22-14-30(15-22)10-3-11-30;1-20-8-9-25(27(37)33-20)36-28(38)23-6-5-7-24(26(23)29(36)39)31-16-21-17-32-35(18-21)22-10-14-34(15-11-22)19-30(2)12-3-4-13-30;1-19-7-8-24(26(36)32-19)35-27(37)22-5-3-6-23(25(22)28(35)38)30-15-20-16-31-34(17-20)21-9-13-33(14-10-21)18-29(2)11-4-12-29;2*1-18-6-7-23(25(35)31-18)34-26(36)21-4-3-5-22(24(21)27(34)37)29-14-19-15-30-33(16-19)20-8-12-32(13-9-20)17-28(2)10-11-28/h6-8,18-19,23,26,32H,1,3-5,9-17,20H2,2H3,(H,34,38);2,4-5,17-18,21-22,25,31H,1,3,6-16H2,(H,33,37);5-7,17-18,22,25,31H,1,3-4,8-16,19H2,2H3,(H,33,37);3,5-6,16-17,21,24,30H,1,4,7-15,18H2,2H3,(H,32,36);2*3-5,15-16,20,23,29H,1,6-14,17H2,2H3,(H,31,35).

What are the key properties of 4-[[1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(1-methylcyclohexyl)methyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(1-methylcyclopentyl)methyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;bis(4-[[1-[1-[(1-methylcyclopropyl)methyl]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-spiro[3.3]heptan-2-ylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione?

4-[[1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(1-methylcyclohexyl)methyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(1-methylcyclopentyl)methyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;bis(4-[[1-[1-[(1-methylcyclopropyl)methyl]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-spiro[3.3]heptan-2-ylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione has a molecular weight of 3125.91 g/mol, XLogP of 22.80, 41 rotatable bonds, 12 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(1-methylcyclohexyl)methyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(1-methylcyclopentyl)methyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;bis(4-[[1-[1-[(1-methylcyclopropyl)methyl]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-spiro[3.3]heptan-2-ylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione is sourced from PubChem (CID 159732285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).