5-[4-(6-azaspiro[2.5]octan-2-ylmethyl)piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 2-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 2-formyl-6-azaspiro[2.5]octane-6-carboxylate;5-(difluoromethyl)-7-(5,6-difluoro-3-pyridinyl)pyrido[4,3-b]indole;5-[4-[[6-[5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-3-fluoro-2-pyridinyl]-6-azaspiro[2.5]octan-2-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione

C144H157F7N26O21 — CID 167575945

About 5-[4-(6-azaspiro[2.5]octan-2-ylmethyl)piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 2-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 2-formyl-6-azaspiro[2.5]octane-6-carboxylate;5-(difluoromethyl)-7-(5,6-difluoro-3-pyridinyl)pyrido[4,3-b]indole;5-[4-[[6-[5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-3-fluoro-2-pyridinyl]-6-azaspiro[2.5]octan-2-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione

5-[4-(6-azaspiro[2.5]octan-2-ylmethyl)piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 2-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 2-formyl-6-azaspiro[2.5]octane-6-carboxylate;5-(difluoromethyl)-7-(5,6-difluoro-3-pyridinyl)pyrido[4,3-b]indole;5-[4-[[6-[5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-3-fluoro-2-pyridinyl]-6-azaspiro[2.5]octan-2-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione (PubChem CID 167575945) has the molecular formula C144H157F7N26O21 and a molecular weight of 2720.99 g/mol. Its IUPAC name is 5-[4-(6-azaspiro[2.5]octan-2-ylmethyl)piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 2-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 2-formyl-6-azaspiro[2.5]octane-6-carboxylate;5-(difluoromethyl)-7-(5,6-difluoro-3-pyridinyl)pyrido[4,3-b]indole;5-[4-[[6-[5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-3-fluoro-2-pyridinyl]-6-azaspiro[2.5]octan-2-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[4-(6-azaspiro[2.5]octan-2-ylmethyl)piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 2-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 2-formyl-6-azaspiro[2.5]octane-6-carboxylate;5-(difluoromethyl)-7-(5,6-difluoro-3-pyridinyl)pyrido[4,3-b]indole;5-[4-[[6-[5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-3-fluoro-2-pyridinyl]-6-azaspiro[2.5]octan-2-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione
• PubChem CID: 167575945
• Molecular Formula: C144H157F7N26O21
• Molecular Weight: 2720.99 g/mol
• Exact Mass: 2719.19
• IUPAC Name: 5-[4-(6-azaspiro[2.5]octan-2-ylmethyl)piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 2-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 2-formyl-6-azaspiro[2.5]octane-6-carboxylate;5-(difluoromethyl)-7-(5,6-difluoro-3-pyridinyl)pyrido[4,3-b]indole;5-[4-[[6-[5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-3-fluoro-2-pyridinyl]-6-azaspiro[2.5]octan-2-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione
• SMILES: CC(C)(C)OC(=O)N1CCC2(CC1)CC2C=O.CC(C)(C)OC(=O)N1CCC2(CC1)CC2CN1CCN(c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1.Fc1cc(-c2ccc3c4cnccc4n(C(F)F)c3c2)cnc1F.O=C1CCC(N2C(=O)c3ccc(N4CCN(CC5CC56CCN(c5ncc(-c7ccc8c9cnccc9n(C(F)F)c8c7)cc5F)CC6)CC4)cc3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3ccc(N4CCN(CC5CC56CCNCC6)CC4)cc3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3ccc(N4CCNCC4)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C42H39F3N8O4.C30H39N5O6.C25H31N5O4.C17H9F4N3.C17H18N4O4.C13H21NO3/c43-32-17-25(24-1-3-28-31-22-46-10-7-33(31)52(41(44)45)35(28)18-24)21-47-37(32)51-11-8-42(9-12-51)20-26(42)23-49-13-15-50(16-14-49)27-2-4-29-30(19-27)40(57)53(39(29)56)34-5-6-36(54)48-38(34)55;1-29(2,3)41-28(40)34-10-8-30(9-11-34)17-19(30)18-32-12-14-33(15-13-32)20-4-5-21-22(16-20)27(39)35(26(21)38)23-6-7-24(36)31-25(23)37;31-21-4-3-20(22(32)27-21)30-23(33)18-2-1-17(13-19(18)24(30)34)29-11-9-28(10-12-29)15-16-14-25(16)5-7-26-8-6-25;18-13-5-10(7-23-16(13)19)9-1-2-11-12-8-22-4-3-14(12)24(17(20)21)15(11)6-9;22-14-4-3-13(15(23)19-14)21-16(24)11-2-1-10(9-12(11)17(21)25)20-7-5-18-6-8-20;1-12(2,3)17-11(16)14-6-4-13(5-7-14)8-10(13)9-15/h1-4,7,10,17-19,21-22,26,34,41H,5-6,8-9,11-16,20,23H2,(H,48,54,55);4-5,16,19,23H,6-15,17-18H2,1-3H3,(H,31,36,37);1-2,13,16,20,26H,3-12,14-15H2,(H,27,31,32);1-8,17H;1-2,9,13,18H,3-8H2,(H,19,22,23);9-10H,4-8H2,1-3H3
• InChIKey: GNLAVQOCEOSOKP-UHFFFAOYSA-N
• XLogP: 15.11
• TPSA: 521.75 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 37
• Rotatable Bonds: 20
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2720.99
LogP ≤ 5	15.11
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-azaspiro[2.5]octan-2-ylmethyl)piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 2-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 2-formyl-6-azaspiro[2.5]octane-6-carboxylate;5-(difluoromethyl)-7-(5,6-difluoro-3-pyridinyl)pyrido[4,3-b]indole;5-[4-[[6-[5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-3-fluoro-2-pyridinyl]-6-azaspiro[2.5]octan-2-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione?

The IUPAC name of 5-[4-(6-azaspiro[2.5]octan-2-ylmethyl)piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 2-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 2-formyl-6-azaspiro[2.5]octane-6-carboxylate;5-(difluoromethyl)-7-(5,6-difluoro-3-pyridinyl)pyrido[4,3-b]indole;5-[4-[[6-[5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-3-fluoro-2-pyridinyl]-6-azaspiro[2.5]octan-2-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione (CID 167575945) is 5-[4-(6-azaspiro[2.5]octan-2-ylmethyl)piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 2-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 2-formyl-6-azaspiro[2.5]octane-6-carboxylate;5-(difluoromethyl)-7-(5,6-difluoro-3-pyridinyl)pyrido[4,3-b]indole;5-[4-[[6-[5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-3-fluoro-2-pyridinyl]-6-azaspiro[2.5]octan-2-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione.

What is the SMILES notation for 5-[4-(6-azaspiro[2.5]octan-2-ylmethyl)piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 2-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 2-formyl-6-azaspiro[2.5]octane-6-carboxylate;5-(difluoromethyl)-7-(5,6-difluoro-3-pyridinyl)pyrido[4,3-b]indole;5-[4-[[6-[5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-3-fluoro-2-pyridinyl]-6-azaspiro[2.5]octan-2-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione?

The canonical SMILES for 5-[4-(6-azaspiro[2.5]octan-2-ylmethyl)piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 2-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 2-formyl-6-azaspiro[2.5]octane-6-carboxylate;5-(difluoromethyl)-7-(5,6-difluoro-3-pyridinyl)pyrido[4,3-b]indole;5-[4-[[6-[5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-3-fluoro-2-pyridinyl]-6-azaspiro[2.5]octan-2-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione is CC(C)(C)OC(=O)N1CCC2(CC1)CC2C=O.CC(C)(C)OC(=O)N1CCC2(CC1)CC2CN1CCN(c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1.Fc1cc(-c2ccc3c4cnccc4n(C(F)F)c3c2)cnc1F.O=C1CCC(N2C(=O)c3ccc(N4CCN(CC5CC56CCN(c5ncc(-c7ccc8c9cnccc9n(C(F)F)c8c7)cc5F)CC6)CC4)cc3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3ccc(N4CCN(CC5CC56CCNCC6)CC4)cc3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3ccc(N4CCNCC4)cc3C2=O)C(=O)N1.

What is the InChIKey of 5-[4-(6-azaspiro[2.5]octan-2-ylmethyl)piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 2-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 2-formyl-6-azaspiro[2.5]octane-6-carboxylate;5-(difluoromethyl)-7-(5,6-difluoro-3-pyridinyl)pyrido[4,3-b]indole;5-[4-[[6-[5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-3-fluoro-2-pyridinyl]-6-azaspiro[2.5]octan-2-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione?

The InChIKey is GNLAVQOCEOSOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H39F3N8O4.C30H39N5O6.C25H31N5O4.C17H9F4N3.C17H18N4O4.C13H21NO3/c43-32-17-25(24-1-3-28-31-22-46-10-7-33(31)52(41(44)45)35(28)18-24)21-47-37(32)51-11-8-42(9-12-51)20-26(42)23-49-13-15-50(16-14-49)27-2-4-29-30(19-27)40(57)53(39(29)56)34-5-6-36(54)48-38(34)55;1-29(2,3)41-28(40)34-10-8-30(9-11-34)17-19(30)18-32-12-14-33(15-13-32)20-4-5-21-22(16-20)27(39)35(26(21)38)23-6-7-24(36)31-25(23)37;31-21-4-3-20(22(32)27-21)30-23(33)18-2-1-17(13-19(18)24(30)34)29-11-9-28(10-12-29)15-16-14-25(16)5-7-26-8-6-25;18-13-5-10(7-23-16(13)19)9-1-2-11-12-8-22-4-3-14(12)24(17(20)21)15(11)6-9;22-14-4-3-13(15(23)19-14)21-16(24)11-2-1-10(9-12(11)17(21)25)20-7-5-18-6-8-20;1-12(2,3)17-11(16)14-6-4-13(5-7-14)8-10(13)9-15/h1-4,7,10,17-19,21-22,26,34,41H,5-6,8-9,11-16,20,23H2,(H,48,54,55);4-5,16,19,23H,6-15,17-18H2,1-3H3,(H,31,36,37);1-2,13,16,20,26H,3-12,14-15H2,(H,27,31,32);1-8,17H;1-2,9,13,18H,3-8H2,(H,19,22,23);9-10H,4-8H2,1-3H3.

What are the key properties of 5-[4-(6-azaspiro[2.5]octan-2-ylmethyl)piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 2-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 2-formyl-6-azaspiro[2.5]octane-6-carboxylate;5-(difluoromethyl)-7-(5,6-difluoro-3-pyridinyl)pyrido[4,3-b]indole;5-[4-[[6-[5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-3-fluoro-2-pyridinyl]-6-azaspiro[2.5]octan-2-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione?

5-[4-(6-azaspiro[2.5]octan-2-ylmethyl)piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 2-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 2-formyl-6-azaspiro[2.5]octane-6-carboxylate;5-(difluoromethyl)-7-(5,6-difluoro-3-pyridinyl)pyrido[4,3-b]indole;5-[4-[[6-[5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-3-fluoro-2-pyridinyl]-6-azaspiro[2.5]octan-2-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione has a molecular weight of 2720.99 g/mol, XLogP of 15.11, 20 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(6-azaspiro[2.5]octan-2-ylmethyl)piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl 2-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 2-formyl-6-azaspiro[2.5]octane-6-carboxylate;5-(difluoromethyl)-7-(5,6-difluoro-3-pyridinyl)pyrido[4,3-b]indole;5-[4-[[6-[5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-3-fluoro-2-pyridinyl]-6-azaspiro[2.5]octan-2-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione is sourced from PubChem (CID 167575945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).