4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[[5-bromo-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[(5-bromo-1-piperidin-4-ylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[5-bromo-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(5-bromo-4-formylpyrazol-1-yl)piperidine-1-carboxylate;1-methylcyclobutane-1-carboxylic acid;hydrochloride

C110H127Br4ClN24O24 — CID 159853580

About 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[[5-bromo-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[(5-bromo-1-piperidin-4-ylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[5-bromo-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(5-bromo-4-formylpyrazol-1-yl)piperidine-1-carboxylate;1-methylcyclobutane-1-carboxylic acid;hydrochloride

4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[[5-bromo-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[(5-bromo-1-piperidin-4-ylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[5-bromo-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(5-bromo-4-formylpyrazol-1-yl)piperidine-1-carboxylate;1-methylcyclobutane-1-carboxylic acid;hydrochloride (PubChem CID 159853580) has the molecular formula C110H127Br4ClN24O24 and a molecular weight of 2524.44 g/mol. Its IUPAC name is 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[[5-bromo-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[(5-bromo-1-piperidin-4-ylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[5-bromo-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(5-bromo-4-formylpyrazol-1-yl)piperidine-1-carboxylate;1-methylcyclobutane-1-carboxylic acid;hydrochloride.

Molecular Properties

• Compound Name: 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[[5-bromo-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[(5-bromo-1-piperidin-4-ylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[5-bromo-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(5-bromo-4-formylpyrazol-1-yl)piperidine-1-carboxylate;1-methylcyclobutane-1-carboxylic acid;hydrochloride
• PubChem CID: 159853580
• Molecular Formula: C110H127Br4ClN24O24
• Molecular Weight: 2524.44 g/mol
• Exact Mass: 2518.59
• IUPAC Name: 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[[5-bromo-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[(5-bromo-1-piperidin-4-ylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[5-bromo-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(5-bromo-4-formylpyrazol-1-yl)piperidine-1-carboxylate;1-methylcyclobutane-1-carboxylic acid;hydrochloride
• SMILES: CC(C)(C)OC(=O)N1CCC(n2ncc(C=O)c2Br)CC1.CC(C)(C)OC(=O)N1CCC(n2ncc(CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)c2Br)CC1.CC1(C(=O)N2CCC(n3ncc(CNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)c3Br)CC2)CCC1.CC1(C(=O)O)CCC1.Cl.Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCNCC5)c4Br)c3C2=O)C(=O)N1
• InChI: InChI=1S/C28H31BrN6O5.C27H31BrN6O6.C22H23BrN6O4.C14H20BrN3O3.C13H11N3O4.C6H10O2.ClH/c1-28(10-3-11-28)27(40)33-12-8-17(9-13-33)35-23(29)16(15-31-35)14-30-19-5-2-4-18-22(19)26(39)34(25(18)38)20-6-7-21(36)32-24(20)37;1-27(2,3)40-26(39)32-11-9-16(10-12-32)34-22(28)15(14-30-34)13-29-18-6-4-5-17-21(18)25(38)33(24(17)37)19-7-8-20(35)31-23(19)36;23-19-12(11-26-29(19)13-6-8-24-9-7-13)10-25-15-3-1-2-14-18(15)22(33)28(21(14)32)16-4-5-17(30)27-20(16)31;1-14(2,3)21-13(20)17-6-4-11(5-7-17)18-12(15)10(9-19)8-16-18;14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18;1-6(5(7)8)3-2-4-6;/h2,4-5,15,17,20,30H,3,6-14H2,1H3,(H,32,36,37);4-6,14,16,19,29H,7-13H2,1-3H3,(H,31,35,36);1-3,11,13,16,24-25H,4-10H2,(H,27,30,31);8-9,11H,4-7H2,1-3H3;1-3,8H,4-5,14H2,(H,15,17,18);2-4H2,1H3,(H,7,8);1H
• InChIKey: LUWBZUBCLOMOBR-UHFFFAOYSA-N
• XLogP: 12.21
• TPSA: 613.38 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 36
• Rotatable Bonds: 20
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2524.44
LogP ≤ 5	12.21
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[[5-bromo-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[(5-bromo-1-piperidin-4-ylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[5-bromo-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(5-bromo-4-formylpyrazol-1-yl)piperidine-1-carboxylate;1-methylcyclobutane-1-carboxylic acid;hydrochloride?

The IUPAC name of 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[[5-bromo-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[(5-bromo-1-piperidin-4-ylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[5-bromo-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(5-bromo-4-formylpyrazol-1-yl)piperidine-1-carboxylate;1-methylcyclobutane-1-carboxylic acid;hydrochloride (CID 159853580) is 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[[5-bromo-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[(5-bromo-1-piperidin-4-ylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[5-bromo-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(5-bromo-4-formylpyrazol-1-yl)piperidine-1-carboxylate;1-methylcyclobutane-1-carboxylic acid;hydrochloride.

What is the SMILES notation for 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[[5-bromo-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[(5-bromo-1-piperidin-4-ylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[5-bromo-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(5-bromo-4-formylpyrazol-1-yl)piperidine-1-carboxylate;1-methylcyclobutane-1-carboxylic acid;hydrochloride?

The canonical SMILES for 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[[5-bromo-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[(5-bromo-1-piperidin-4-ylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[5-bromo-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(5-bromo-4-formylpyrazol-1-yl)piperidine-1-carboxylate;1-methylcyclobutane-1-carboxylic acid;hydrochloride is CC(C)(C)OC(=O)N1CCC(n2ncc(C=O)c2Br)CC1.CC(C)(C)OC(=O)N1CCC(n2ncc(CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)c2Br)CC1.CC1(C(=O)N2CCC(n3ncc(CNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)c3Br)CC2)CCC1.CC1(C(=O)O)CCC1.Cl.Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCNCC5)c4Br)c3C2=O)C(=O)N1.

What is the InChIKey of 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[[5-bromo-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[(5-bromo-1-piperidin-4-ylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[5-bromo-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(5-bromo-4-formylpyrazol-1-yl)piperidine-1-carboxylate;1-methylcyclobutane-1-carboxylic acid;hydrochloride?

The InChIKey is LUWBZUBCLOMOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31BrN6O5.C27H31BrN6O6.C22H23BrN6O4.C14H20BrN3O3.C13H11N3O4.C6H10O2.ClH/c1-28(10-3-11-28)27(40)33-12-8-17(9-13-33)35-23(29)16(15-31-35)14-30-19-5-2-4-18-22(19)26(39)34(25(18)38)20-6-7-21(36)32-24(20)37;1-27(2,3)40-26(39)32-11-9-16(10-12-32)34-22(28)15(14-30-34)13-29-18-6-4-5-17-21(18)25(38)33(24(17)37)19-7-8-20(35)31-23(19)36;23-19-12(11-26-29(19)13-6-8-24-9-7-13)10-25-15-3-1-2-14-18(15)22(33)28(21(14)32)16-4-5-17(30)27-20(16)31;1-14(2,3)21-13(20)17-6-4-11(5-7-17)18-12(15)10(9-19)8-16-18;14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18;1-6(5(7)8)3-2-4-6;/h2,4-5,15,17,20,30H,3,6-14H2,1H3,(H,32,36,37);4-6,14,16,19,29H,7-13H2,1-3H3,(H,31,35,36);1-3,11,13,16,24-25H,4-10H2,(H,27,30,31);8-9,11H,4-7H2,1-3H3;1-3,8H,4-5,14H2,(H,15,17,18);2-4H2,1H3,(H,7,8);1H.

What are the key properties of 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[[5-bromo-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[(5-bromo-1-piperidin-4-ylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[5-bromo-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(5-bromo-4-formylpyrazol-1-yl)piperidine-1-carboxylate;1-methylcyclobutane-1-carboxylic acid;hydrochloride?

4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[[5-bromo-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[(5-bromo-1-piperidin-4-ylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[5-bromo-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(5-bromo-4-formylpyrazol-1-yl)piperidine-1-carboxylate;1-methylcyclobutane-1-carboxylic acid;hydrochloride has a molecular weight of 2524.44 g/mol, XLogP of 12.21, 20 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[[5-bromo-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[(5-bromo-1-piperidin-4-ylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-[5-bromo-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(5-bromo-4-formylpyrazol-1-yl)piperidine-1-carboxylate;1-methylcyclobutane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 159853580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).