4-[[1-[1-(1-cyclopropylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-ethylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-ethynylcyclobutanecarbonyl)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-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione

C150H172Cl2N30O20 — CID 159292034

About 4-[[1-[1-(1-cyclopropylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-ethylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-ethynylcyclobutanecarbonyl)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-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione

4-[[1-[1-(1-cyclopropylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-ethylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-ethynylcyclobutanecarbonyl)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-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione (PubChem CID 159292034) has the molecular formula C150H172Cl2N30O20 and a molecular weight of 2786.12 g/mol. Its IUPAC name is 4-[[1-[1-(1-cyclopropylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-ethylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-ethynylcyclobutanecarbonyl)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-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 4-[[1-[1-(1-cyclopropylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-ethylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-ethynylcyclobutanecarbonyl)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-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
• PubChem CID: 159292034
• Molecular Formula: C150H172Cl2N30O20
• Molecular Weight: 2786.12 g/mol
• Exact Mass: 2783.27
• IUPAC Name: 4-[[1-[1-(1-cyclopropylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-ethylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-ethynylcyclobutanecarbonyl)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-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
• SMILES: C#CC1(C(=O)N2CCC(n3cc(CNc4cccc5c4C(=O)N(C4CCC(=C)NC4=O)C5=O)cn3)CC2)CCC1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C6(C)CC6(Cl)Cl)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C6(C7CC7)CCC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C6(CC)CCC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C6C(C)(C)C6(C)C)CC5)c4)c3C2=O)C(=O)N1
• InChI: InChI=1S/C31H36N6O4.C31H38N6O4.C30H36N6O4.C30H32N6O4.C28H30Cl2N6O4/c1-19-6-9-25(27(38)34-19)37-28(39)23-4-2-5-24(26(23)29(37)40)32-16-20-17-33-36(18-20)22-10-14-35(15-11-22)30(41)31(12-3-13-31)21-7-8-21;1-18-9-10-23(26(38)34-18)37-27(39)21-7-6-8-22(24(21)28(37)40)32-15-19-16-33-36(17-19)20-11-13-35(14-12-20)29(41)25-30(2,3)31(25,4)5;2*1-3-30(12-5-13-30)29(40)34-14-10-21(11-15-34)35-18-20(17-32-35)16-31-23-7-4-6-22-25(23)28(39)36(27(22)38)24-9-8-19(2)33-26(24)37;1-16-6-7-21(23(37)33-16)36-24(38)19-4-3-5-20(22(19)25(36)39)31-12-17-13-32-35(14-17)18-8-10-34(11-9-18)26(40)27(2)15-28(27,29)30/h2,4-5,17-18,21-22,25,32H,1,3,6-16H2,(H,34,38);6-8,16-17,20,23,25,32H,1,9-15H2,2-5H3,(H,34,38);4,6-7,17-18,21,24,31H,2-3,5,8-16H2,1H3,(H,33,37);1,4,6-7,17-18,21,24,31H,2,5,8-16H2,(H,33,37);3-5,13-14,18,21,31H,1,6-12,15H2,2H3,(H,33,37)
• InChIKey: LAGCYOLTSBXDNG-UHFFFAOYSA-N
• XLogP: 17.47
• TPSA: 583.20 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 35
• Rotatable Bonds: 32
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2786.12
LogP ≤ 5	17.47
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[1-(1-cyclopropylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-ethylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-ethynylcyclobutanecarbonyl)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-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?

The IUPAC name of 4-[[1-[1-(1-cyclopropylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-ethylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-ethynylcyclobutanecarbonyl)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-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione (CID 159292034) is 4-[[1-[1-(1-cyclopropylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-ethylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-ethynylcyclobutanecarbonyl)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-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione.

What is the SMILES notation for 4-[[1-[1-(1-cyclopropylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-ethylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-ethynylcyclobutanecarbonyl)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-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?

The canonical SMILES for 4-[[1-[1-(1-cyclopropylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-ethylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-ethynylcyclobutanecarbonyl)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-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione is C#CC1(C(=O)N2CCC(n3cc(CNc4cccc5c4C(=O)N(C4CCC(=C)NC4=O)C5=O)cn3)CC2)CCC1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C6(C)CC6(Cl)Cl)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C6(C7CC7)CCC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C6(CC)CCC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C6C(C)(C)C6(C)C)CC5)c4)c3C2=O)C(=O)N1.

What is the InChIKey of 4-[[1-[1-(1-cyclopropylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-ethylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-ethynylcyclobutanecarbonyl)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-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?

The InChIKey is LAGCYOLTSBXDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N6O4.C31H38N6O4.C30H36N6O4.C30H32N6O4.C28H30Cl2N6O4/c1-19-6-9-25(27(38)34-19)37-28(39)23-4-2-5-24(26(23)29(37)40)32-16-20-17-33-36(18-20)22-10-14-35(15-11-22)30(41)31(12-3-13-31)21-7-8-21;1-18-9-10-23(26(38)34-18)37-27(39)21-7-6-8-22(24(21)28(37)40)32-15-19-16-33-36(17-19)20-11-13-35(14-12-20)29(41)25-30(2,3)31(25,4)5;2*1-3-30(12-5-13-30)29(40)34-14-10-21(11-15-34)35-18-20(17-32-35)16-31-23-7-4-6-22-25(23)28(39)36(27(22)38)24-9-8-19(2)33-26(24)37;1-16-6-7-21(23(37)33-16)36-24(38)19-4-3-5-20(22(19)25(36)39)31-12-17-13-32-35(14-17)18-8-10-34(11-9-18)26(40)27(2)15-28(27,29)30/h2,4-5,17-18,21-22,25,32H,1,3,6-16H2,(H,34,38);6-8,16-17,20,23,25,32H,1,9-15H2,2-5H3,(H,34,38);4,6-7,17-18,21,24,31H,2-3,5,8-16H2,1H3,(H,33,37);1,4,6-7,17-18,21,24,31H,2,5,8-16H2,(H,33,37);3-5,13-14,18,21,31H,1,6-12,15H2,2H3,(H,33,37).

What are the key properties of 4-[[1-[1-(1-cyclopropylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-ethylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-ethynylcyclobutanecarbonyl)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-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?

4-[[1-[1-(1-cyclopropylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-ethylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-ethynylcyclobutanecarbonyl)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-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione has a molecular weight of 2786.12 g/mol, XLogP of 17.47, 32 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[1-[1-(1-cyclopropylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-ethylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-ethynylcyclobutanecarbonyl)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-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione is sourced from PubChem (CID 159292034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).