4-[[5-bromo-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[4-[3-(dimethylamino)-1-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[1-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]pyrazol-1-yl]piperidine-1-carboxylate;4-[[3,5-dimethyl-1-[1-(1-methylcyclobutanecarbonyl)azetidin-3-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione

C119H146BrN25O18 — CID 158694669

About 4-[[5-bromo-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[4-[3-(dimethylamino)-1-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[1-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]pyrazol-1-yl]piperidine-1-carboxylate;4-[[3,5-dimethyl-1-[1-(1-methylcyclobutanecarbonyl)azetidin-3-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione

4-[[5-bromo-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[4-[3-(dimethylamino)-1-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[1-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]pyrazol-1-yl]piperidine-1-carboxylate;4-[[3,5-dimethyl-1-[1-(1-methylcyclobutanecarbonyl)azetidin-3-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 158694669) has the molecular formula C119H146BrN25O18 and a molecular weight of 2294.54 g/mol. Its IUPAC name is 4-[[5-bromo-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[4-[3-(dimethylamino)-1-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[1-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]pyrazol-1-yl]piperidine-1-carboxylate;4-[[3,5-dimethyl-1-[1-(1-methylcyclobutanecarbonyl)azetidin-3-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 4-[[5-bromo-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[4-[3-(dimethylamino)-1-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[1-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]pyrazol-1-yl]piperidine-1-carboxylate;4-[[3,5-dimethyl-1-[1-(1-methylcyclobutanecarbonyl)azetidin-3-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 158694669
• Molecular Formula: C119H146BrN25O18
• Molecular Weight: 2294.54 g/mol
• Exact Mass: 2292.05
• IUPAC Name: 4-[[5-bromo-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[4-[3-(dimethylamino)-1-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[1-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]pyrazol-1-yl]piperidine-1-carboxylate;4-[[3,5-dimethyl-1-[1-(1-methylcyclobutanecarbonyl)azetidin-3-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: C=C1CCC(N2C(=O)c3cccc(NC(C)c4cnn(C5CCN(C(=O)OC(C)(C)C)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NC(CCN(C)C)c4cnn(C5CCN(C(=O)OC(C)(C)C)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4c(C)nn(C5CN(C(=O)C6(C)CCC6)C5)c4C)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C6(C)CCC6)CC5)c4Br)c3C2=O)C(=O)N1
• InChI: InChI=1S/C32H43N7O5.C29H33BrN6O4.C29H36N6O5.C29H34N6O4/c1-20-10-11-26(28(40)34-20)39-29(41)23-8-7-9-25(27(23)30(39)42)35-24(14-15-36(5)6)21-18-33-38(19-21)22-12-16-37(17-13-22)31(43)44-32(2,3)4;1-17-7-8-22(25(37)33-17)35-26(38)20-5-3-6-21(23(20)27(35)39)31-15-18-16-32-36(24(18)30)19-9-13-34(14-10-19)28(40)29(2)11-4-12-29;1-17-9-10-23(25(36)31-17)35-26(37)21-7-6-8-22(24(21)27(35)38)32-18(2)19-15-30-34(16-19)20-11-13-33(14-12-20)28(39)40-29(3,4)5;1-16-9-10-23(25(36)31-16)34-26(37)20-7-5-8-22(24(20)27(34)38)30-13-21-17(2)32-35(18(21)3)19-14-33(15-19)28(39)29(4)11-6-12-29/h7-9,18-19,22,24,26,35H,1,10-17H2,2-6H3,(H,34,40);3,5-6,16,19,22,31H,1,4,7-15H2,2H3,(H,33,37);6-8,15-16,18,20,23,32H,1,9-14H2,2-5H3,(H,31,36);5,7-8,19,23,30H,1,6,9-15H2,2-4H3,(H,31,36)
• InChIKey: IGUCBKJKVMWIIA-UHFFFAOYSA-N
• XLogP: 15.04
• TPSA: 488.26 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 31
• Rotatable Bonds: 25
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2294.54
LogP ≤ 5	15.04
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[5-bromo-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[4-[3-(dimethylamino)-1-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[1-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]pyrazol-1-yl]piperidine-1-carboxylate;4-[[3,5-dimethyl-1-[1-(1-methylcyclobutanecarbonyl)azetidin-3-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 4-[[5-bromo-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[4-[3-(dimethylamino)-1-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[1-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]pyrazol-1-yl]piperidine-1-carboxylate;4-[[3,5-dimethyl-1-[1-(1-methylcyclobutanecarbonyl)azetidin-3-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione (CID 158694669) is 4-[[5-bromo-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[4-[3-(dimethylamino)-1-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[1-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]pyrazol-1-yl]piperidine-1-carboxylate;4-[[3,5-dimethyl-1-[1-(1-methylcyclobutanecarbonyl)azetidin-3-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione.

What is the SMILES notation for 4-[[5-bromo-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[4-[3-(dimethylamino)-1-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[1-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]pyrazol-1-yl]piperidine-1-carboxylate;4-[[3,5-dimethyl-1-[1-(1-methylcyclobutanecarbonyl)azetidin-3-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione?

The canonical SMILES for 4-[[5-bromo-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[4-[3-(dimethylamino)-1-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[1-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]pyrazol-1-yl]piperidine-1-carboxylate;4-[[3,5-dimethyl-1-[1-(1-methylcyclobutanecarbonyl)azetidin-3-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione is C=C1CCC(N2C(=O)c3cccc(NC(C)c4cnn(C5CCN(C(=O)OC(C)(C)C)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NC(CCN(C)C)c4cnn(C5CCN(C(=O)OC(C)(C)C)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4c(C)nn(C5CN(C(=O)C6(C)CCC6)C5)c4C)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C6(C)CCC6)CC5)c4Br)c3C2=O)C(=O)N1.

What is the InChIKey of 4-[[5-bromo-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[4-[3-(dimethylamino)-1-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[1-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]pyrazol-1-yl]piperidine-1-carboxylate;4-[[3,5-dimethyl-1-[1-(1-methylcyclobutanecarbonyl)azetidin-3-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione?

The InChIKey is IGUCBKJKVMWIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43N7O5.C29H33BrN6O4.C29H36N6O5.C29H34N6O4/c1-20-10-11-26(28(40)34-20)39-29(41)23-8-7-9-25(27(23)30(39)42)35-24(14-15-36(5)6)21-18-33-38(19-21)22-12-16-37(17-13-22)31(43)44-32(2,3)4;1-17-7-8-22(25(37)33-17)35-26(38)20-5-3-6-21(23(20)27(35)39)31-15-18-16-32-36(24(18)30)19-9-13-34(14-10-19)28(40)29(2)11-4-12-29;1-17-9-10-23(25(36)31-17)35-26(37)21-7-6-8-22(24(21)27(35)38)32-18(2)19-15-30-34(16-19)20-11-13-33(14-12-20)28(39)40-29(3,4)5;1-16-9-10-23(25(36)31-16)34-26(37)20-7-5-8-22(24(20)27(34)38)30-13-21-17(2)32-35(18(21)3)19-14-33(15-19)28(39)29(4)11-6-12-29/h7-9,18-19,22,24,26,35H,1,10-17H2,2-6H3,(H,34,40);3,5-6,16,19,22,31H,1,4,7-15H2,2H3,(H,33,37);6-8,15-16,18,20,23,32H,1,9-14H2,2-5H3,(H,31,36);5,7-8,19,23,30H,1,6,9-15H2,2-4H3,(H,31,36).

What are the key properties of 4-[[5-bromo-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[4-[3-(dimethylamino)-1-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[1-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]pyrazol-1-yl]piperidine-1-carboxylate;4-[[3,5-dimethyl-1-[1-(1-methylcyclobutanecarbonyl)azetidin-3-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione?

4-[[5-bromo-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[4-[3-(dimethylamino)-1-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[1-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]pyrazol-1-yl]piperidine-1-carboxylate;4-[[3,5-dimethyl-1-[1-(1-methylcyclobutanecarbonyl)azetidin-3-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 2294.54 g/mol, XLogP of 15.04, 25 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[5-bromo-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[4-[3-(dimethylamino)-1-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[1-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]pyrazol-1-yl]piperidine-1-carboxylate;4-[[3,5-dimethyl-1-[1-(1-methylcyclobutanecarbonyl)azetidin-3-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 158694669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).