3-(6-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;tert-butyl 4-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]methyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[6-[[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-6-(piperidin-4-ylmethylamino)-1H-isoindol-2-yl]piperidine-2,6-dione

C128H145F3N26O17 — CID 163815178

About 3-(6-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;tert-butyl 4-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]methyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[6-[[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-6-(piperidin-4-ylmethylamino)-1H-isoindol-2-yl]piperidine-2,6-dione

3-(6-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;tert-butyl 4-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]methyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[6-[[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-6-(piperidin-4-ylmethylamino)-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 163815178) has the molecular formula C128H145F3N26O17 and a molecular weight of 2376.73 g/mol. Its IUPAC name is 3-(6-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;tert-butyl 4-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]methyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[6-[[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-6-(piperidin-4-ylmethylamino)-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-(6-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;tert-butyl 4-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]methyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[6-[[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-6-(piperidin-4-ylmethylamino)-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 163815178
• Molecular Formula: C128H145F3N26O17
• Molecular Weight: 2376.73 g/mol
• Exact Mass: 2375.12
• IUPAC Name: 3-(6-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;tert-butyl 4-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]methyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[6-[[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-6-(piperidin-4-ylmethylamino)-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: CC(C)(C)OC(=O)N1CCC(C=O)CC1.CC(C)(C)OC(=O)N1CCC(CNc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)CC1.Fc1cccc([C@H]2CCCN2c2ccc3ncc(-c4cccc(F)n4)n3n2)c1.Nc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.O=C1CCC(N2Cc3cc(NCC4CCN(c5cccc(-c6cnc7ccc(N8CCC[C@@H]8c8cccc(F)c8)nn67)n5)CC4)ccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3cc(NCC4CCNCC4)ccc3C2=O)C(=O)N1
• InChI: InChI=1S/C40H40FN9O3.C24H32N4O5.C21H17F2N5.C19H24N4O3.C13H13N3O3.C11H19NO3/c41-28-5-1-4-26(20-28)32-7-3-17-48(32)37-13-12-35-43-23-34(50(35)46-37)31-6-2-8-36(44-31)47-18-15-25(16-19-47)22-42-29-9-10-30-27(21-29)24-49(40(30)53)33-11-14-38(51)45-39(33)52;1-24(2,3)33-23(32)27-10-8-15(9-11-27)13-25-17-4-5-18-16(12-17)14-28(22(18)31)19-6-7-20(29)26-21(19)30;22-15-5-1-4-14(12-15)17-7-3-11-27(17)21-10-9-20-24-13-18(28(20)26-21)16-6-2-8-19(23)25-16;24-17-4-3-16(18(25)22-17)23-11-13-9-14(1-2-15(13)19(23)26)21-10-12-5-7-20-8-6-12;14-8-1-2-9-7(5-8)6-16(13(9)19)10-3-4-11(17)15-12(10)18;1-11(2,3)15-10(14)12-6-4-9(8-13)5-7-12/h1-2,4-6,8-10,12-13,20-21,23,25,32-33,42H,3,7,11,14-19,22,24H2,(H,45,51,52);4-5,12,15,19,25H,6-11,13-14H2,1-3H3,(H,26,29,30);1-2,4-6,8-10,12-13,17H,3,7,11H2;1-2,9,12,16,20-21H,3-8,10-11H2,(H,22,24,25);1-2,5,10H,3-4,6,14H2,(H,15,17,18);8-9H,4-7H2,1-3H3/t32-,33?;;17-;;;/m1.1.../s1
• InChIKey: NQSAAAGKDUXTHT-ZKQGVTRJSA-N
• XLogP: 15.00
• TPSA: 512.09 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 33
• Rotatable Bonds: 21
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2376.73
LogP ≤ 5	15.00
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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 3-(6-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;tert-butyl 4-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]methyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[6-[[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-6-(piperidin-4-ylmethylamino)-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-(6-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;tert-butyl 4-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]methyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[6-[[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-6-(piperidin-4-ylmethylamino)-1H-isoindol-2-yl]piperidine-2,6-dione (CID 163815178) is 3-(6-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;tert-butyl 4-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]methyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[6-[[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-6-(piperidin-4-ylmethylamino)-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-(6-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;tert-butyl 4-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]methyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[6-[[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-6-(piperidin-4-ylmethylamino)-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-(6-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;tert-butyl 4-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]methyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[6-[[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-6-(piperidin-4-ylmethylamino)-1H-isoindol-2-yl]piperidine-2,6-dione is CC(C)(C)OC(=O)N1CCC(C=O)CC1.CC(C)(C)OC(=O)N1CCC(CNc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)CC1.Fc1cccc([C@H]2CCCN2c2ccc3ncc(-c4cccc(F)n4)n3n2)c1.Nc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.O=C1CCC(N2Cc3cc(NCC4CCN(c5cccc(-c6cnc7ccc(N8CCC[C@@H]8c8cccc(F)c8)nn67)n5)CC4)ccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3cc(NCC4CCNCC4)ccc3C2=O)C(=O)N1.

What is the InChIKey of 3-(6-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;tert-butyl 4-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]methyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[6-[[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-6-(piperidin-4-ylmethylamino)-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is NQSAAAGKDUXTHT-ZKQGVTRJSA-N. The full InChI is InChI=1S/C40H40FN9O3.C24H32N4O5.C21H17F2N5.C19H24N4O3.C13H13N3O3.C11H19NO3/c41-28-5-1-4-26(20-28)32-7-3-17-48(32)37-13-12-35-43-23-34(50(35)46-37)31-6-2-8-36(44-31)47-18-15-25(16-19-47)22-42-29-9-10-30-27(21-29)24-49(40(30)53)33-11-14-38(51)45-39(33)52;1-24(2,3)33-23(32)27-10-8-15(9-11-27)13-25-17-4-5-18-16(12-17)14-28(22(18)31)19-6-7-20(29)26-21(19)30;22-15-5-1-4-14(12-15)17-7-3-11-27(17)21-10-9-20-24-13-18(28(20)26-21)16-6-2-8-19(23)25-16;24-17-4-3-16(18(25)22-17)23-11-13-9-14(1-2-15(13)19(23)26)21-10-12-5-7-20-8-6-12;14-8-1-2-9-7(5-8)6-16(13(9)19)10-3-4-11(17)15-12(10)18;1-11(2,3)15-10(14)12-6-4-9(8-13)5-7-12/h1-2,4-6,8-10,12-13,20-21,23,25,32-33,42H,3,7,11,14-19,22,24H2,(H,45,51,52);4-5,12,15,19,25H,6-11,13-14H2,1-3H3,(H,26,29,30);1-2,4-6,8-10,12-13,17H,3,7,11H2;1-2,9,12,16,20-21H,3-8,10-11H2,(H,22,24,25);1-2,5,10H,3-4,6,14H2,(H,15,17,18);8-9H,4-7H2,1-3H3/t32-,33?;;17-;;;/m1.1.../s1.

What are the key properties of 3-(6-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;tert-butyl 4-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]methyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[6-[[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-6-(piperidin-4-ylmethylamino)-1H-isoindol-2-yl]piperidine-2,6-dione?

3-(6-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;tert-butyl 4-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]methyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[6-[[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-6-(piperidin-4-ylmethylamino)-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 2376.73 g/mol, XLogP of 15.00, 21 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(6-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;tert-butyl 4-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]methyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[6-[[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-6-(piperidin-4-ylmethylamino)-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 163815178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).