4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-(5-bromo-4-formylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[5-(2-cyclopropylethynyl)-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-(2-cyclopropylethynyl)-4-formylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-(2-cyclopropyl-2-oxoethyl)-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;ethynylcyclopropane

C115H136BrN21O23 — CID 159342258

About 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-(5-bromo-4-formylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[5-(2-cyclopropylethynyl)-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-(2-cyclopropylethynyl)-4-formylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-(2-cyclopropyl-2-oxoethyl)-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;ethynylcyclopropane

4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-(5-bromo-4-formylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[5-(2-cyclopropylethynyl)-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-(2-cyclopropylethynyl)-4-formylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-(2-cyclopropyl-2-oxoethyl)-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;ethynylcyclopropane (PubChem CID 159342258) has the molecular formula C115H136BrN21O23 and a molecular weight of 2260.38 g/mol. Its IUPAC name is 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-(5-bromo-4-formylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[5-(2-cyclopropylethynyl)-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-(2-cyclopropylethynyl)-4-formylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-(2-cyclopropyl-2-oxoethyl)-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;ethynylcyclopropane.

Molecular Properties

• Compound Name: 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-(5-bromo-4-formylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[5-(2-cyclopropylethynyl)-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-(2-cyclopropylethynyl)-4-formylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-(2-cyclopropyl-2-oxoethyl)-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;ethynylcyclopropane
• PubChem CID: 159342258
• Molecular Formula: C115H136BrN21O23
• Molecular Weight: 2260.38 g/mol
• Exact Mass: 2257.93
• IUPAC Name: 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-(5-bromo-4-formylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[5-(2-cyclopropylethynyl)-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-(2-cyclopropylethynyl)-4-formylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-(2-cyclopropyl-2-oxoethyl)-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;ethynylcyclopropane
• SMILES: C#CC1CC1.CC(C)(C)OC(=O)N1CCC(n2ncc(C=O)c2Br)CC1.CC(C)(C)OC(=O)N1CCC(n2ncc(C=O)c2C#CC2CC2)CC1.CC(C)(C)OC(=O)N1CCC(n2ncc(CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)c2C#CC2CC2)CC1.CC(C)(C)OC(=O)N1CCC(n2ncc(CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)c2CC(=O)C2CC2)CC1.Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C32H38N6O7.C32H36N6O6.C19H25N3O3.C14H20BrN3O3.C13H11N3O4.C5H6/c1-32(2,3)45-31(44)36-13-11-20(12-14-36)38-24(15-25(39)18-7-8-18)19(17-34-38)16-33-22-6-4-5-21-27(22)30(43)37(29(21)42)23-9-10-26(40)35-28(23)41;1-32(2,3)44-31(43)36-15-13-21(14-16-36)38-24(10-9-19-7-8-19)20(18-34-38)17-33-23-6-4-5-22-27(23)30(42)37(29(22)41)25-11-12-26(39)35-28(25)40;1-19(2,3)25-18(24)21-10-8-16(9-11-21)22-17(7-6-14-4-5-14)15(13-23)12-20-22;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;1-2-5-3-4-5/h4-6,17-18,20,23,33H,7-16H2,1-3H3,(H,35,40,41);4-6,18-19,21,25,33H,7-8,11-17H2,1-3H3,(H,35,39,40);12-14,16H,4-5,8-11H2,1-3H3;8-9,11H,4-7H2,1-3H3;1-3,8H,4-5,14H2,(H,15,17,18);1,5H,3-4H2
• InChIKey: LGGZPBICNBGZHV-UHFFFAOYSA-N
• XLogP: 12.98
• TPSA: 541.38 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 34
• Rotatable Bonds: 18
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2260.38
LogP ≤ 5	12.98
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-(5-bromo-4-formylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[5-(2-cyclopropylethynyl)-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-(2-cyclopropylethynyl)-4-formylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-(2-cyclopropyl-2-oxoethyl)-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;ethynylcyclopropane?

The IUPAC name of 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-(5-bromo-4-formylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[5-(2-cyclopropylethynyl)-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-(2-cyclopropylethynyl)-4-formylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-(2-cyclopropyl-2-oxoethyl)-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;ethynylcyclopropane (CID 159342258) is 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-(5-bromo-4-formylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[5-(2-cyclopropylethynyl)-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-(2-cyclopropylethynyl)-4-formylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-(2-cyclopropyl-2-oxoethyl)-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;ethynylcyclopropane.

What is the SMILES notation for 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-(5-bromo-4-formylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[5-(2-cyclopropylethynyl)-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-(2-cyclopropylethynyl)-4-formylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-(2-cyclopropyl-2-oxoethyl)-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;ethynylcyclopropane?

The canonical SMILES for 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-(5-bromo-4-formylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[5-(2-cyclopropylethynyl)-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-(2-cyclopropylethynyl)-4-formylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-(2-cyclopropyl-2-oxoethyl)-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;ethynylcyclopropane is C#CC1CC1.CC(C)(C)OC(=O)N1CCC(n2ncc(C=O)c2Br)CC1.CC(C)(C)OC(=O)N1CCC(n2ncc(C=O)c2C#CC2CC2)CC1.CC(C)(C)OC(=O)N1CCC(n2ncc(CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)c2C#CC2CC2)CC1.CC(C)(C)OC(=O)N1CCC(n2ncc(CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)c2CC(=O)C2CC2)CC1.Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-(5-bromo-4-formylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[5-(2-cyclopropylethynyl)-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-(2-cyclopropylethynyl)-4-formylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-(2-cyclopropyl-2-oxoethyl)-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;ethynylcyclopropane?

The InChIKey is LGGZPBICNBGZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N6O7.C32H36N6O6.C19H25N3O3.C14H20BrN3O3.C13H11N3O4.C5H6/c1-32(2,3)45-31(44)36-13-11-20(12-14-36)38-24(15-25(39)18-7-8-18)19(17-34-38)16-33-22-6-4-5-21-27(22)30(43)37(29(21)42)23-9-10-26(40)35-28(23)41;1-32(2,3)44-31(43)36-15-13-21(14-16-36)38-24(10-9-19-7-8-19)20(18-34-38)17-33-23-6-4-5-22-27(23)30(42)37(29(22)41)25-11-12-26(39)35-28(25)40;1-19(2,3)25-18(24)21-10-8-16(9-11-21)22-17(7-6-14-4-5-14)15(13-23)12-20-22;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;1-2-5-3-4-5/h4-6,17-18,20,23,33H,7-16H2,1-3H3,(H,35,40,41);4-6,18-19,21,25,33H,7-8,11-17H2,1-3H3,(H,35,39,40);12-14,16H,4-5,8-11H2,1-3H3;8-9,11H,4-7H2,1-3H3;1-3,8H,4-5,14H2,(H,15,17,18);1,5H,3-4H2.

What are the key properties of 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-(5-bromo-4-formylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[5-(2-cyclopropylethynyl)-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-(2-cyclopropylethynyl)-4-formylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-(2-cyclopropyl-2-oxoethyl)-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;ethynylcyclopropane?

4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-(5-bromo-4-formylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[5-(2-cyclopropylethynyl)-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-(2-cyclopropylethynyl)-4-formylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-(2-cyclopropyl-2-oxoethyl)-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;ethynylcyclopropane has a molecular weight of 2260.38 g/mol, XLogP of 12.98, 18 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 4-(5-bromo-4-formylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[5-(2-cyclopropylethynyl)-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-(2-cyclopropylethynyl)-4-formylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-(2-cyclopropyl-2-oxoethyl)-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;ethynylcyclopropane is sourced from PubChem (CID 159342258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).