sodium;3-aminopiperidine-2,6-dione;tert-butyl 2-[4-[6-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]propyl]-3-pyridinyl]phenyl]pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 2-[4-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]phenyl]pyrrolo[2,3-c]pyridine-1-carboxylate;5-[2-[3-[5-[4-(7H-cyclopenta[c]pyridin-6-yl)phenyl]-2-pyridinyl]propoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dimethyl 4-[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-[5-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]benzene-1,2-dicarboxylate;dimethyl 4-(2-propoxyethoxy)benzene-1,2-dicarboxylate;methanol;4-[2-[3-[5-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]phenyl]-2-pyridinyl]propoxy]ethoxy]phthalic acid;hydroxide

C205H215N22NaO46 — CID 165062818

IUPACsodium;3-aminopiperidine-2,6-dione;tert-butyl 2-[4-[6-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]propyl]-3-pyridinyl]phenyl]pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 2-[4-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]phenyl]pyrrolo[2,3-c]pyridine-1-carboxylate;5-[2-[3-[5-[4-(7H-cyclopenta[c]pyridin-6-yl)phenyl]-2-pyridinyl]propoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dimethyl 4-[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-[5-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]benzene-1,2-dicarboxylate;dimethyl 4-(2-propoxyethoxy)benzene-1,2-dicarboxylate;methanol;4-[2-[3-[5-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]phenyl]-2-pyridinyl]propoxy]ethoxy]phthalic acid;hydroxide
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2ccc(-c3cc4ccncc4n3C(=O)OC(C)(C)C)cc2)cn1.CC(C)(C)OC(=O)n1c(-c2ccc(-c3ccc(CCCOCCOc4ccc(C(=O)O)c(C(=O)O)c4)nc3)cc2)cc2ccncc21.CC(C)(C)OC(=O)n1c(-c2ccc(-c3ccc(CCCOCCOc4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)nc3)cc2)cc2ccncc21.CCCOCCOc1ccc(C(=O)OC)c(C(=O)OC)c1.CO.COC(=O)c1ccc(OCCOCCN(C(=O)OC(C)(C)C)c2ccc(-c3ccc(-c4cc5ccncc5n4C(=O)OC(C)(C)C)cc3)cn2)cc1C(=O)OC.NC1CCC(=O)NC1=O.O=C1CCC(N2C(=O)c3ccc(OCCOCCCc4ccc(-c5ccc(C6=Cc7ccncc7C6)cc5)cn4)cc3C2=O)C(=O)N1.[Na+].[OH-]
InChIInChI=1S/C42H46N4O10.C41H39N5O8.C37H32N4O6.C36H35N3O8.C28H30N4O4.C15H20O6.C5H8N2O2.CH4O.Na.H2O/c1-41(2,3)55-39(49)45(19-20-53-21-22-54-31-14-15-32(37(47)51-7)33(24-31)38(48)52-8)36-16-13-30(25-44-36)27-9-11-28(12-10-27)34-23-29-17-18-43-26-35(29)46(34)40(50)56-42(4,5)6;1-41(2,3)54-40(51)45-34(21-27-16-17-42-24-35(27)45)26-8-6-25(7-9-26)28-10-11-29(43-23-28)5-4-18-52-19-20-53-30-12-13-31-32(22-30)39(50)46(38(31)49)33-14-15-36(47)44-37(33)48;42-34-12-11-33(35(43)40-34)41-36(44)31-10-9-30(20-32(31)37(41)45)47-17-16-46-15-1-2-29-8-7-26(22-39-29)23-3-5-24(6-4-23)27-18-25-13-14-38-21-28(25)19-27;1-36(2,3)47-35(44)39-31(19-25-14-15-37-22-32(25)39)24-8-6-23(7-9-24)26-10-11-27(38-21-26)5-4-16-45-17-18-46-28-12-13-29(33(40)41)30(20-28)34(42)43;1-27(2,3)35-25(33)31-24-12-11-21(16-30-24)18-7-9-19(10-8-18)22-15-20-13-14-29-17-23(20)32(22)26(34)36-28(4,5)6;1-4-7-20-8-9-21-11-5-6-12(14(16)18-2)13(10-11)15(17)19-3;6-3-1-2-4(8)7-5(3)9;1-2;;/h9-18,23-26H,19-22H2,1-8H3;6-13,16-17,21-24,33H,4-5,14-15,18-20H2,1-3H3,(H,44,47,48);3-10,13-14,18,20-22,33H,1-2,11-12,15-17,19H2,(H,40,42,43);6-15,19-22H,4-5,16-18H2,1-3H3,(H,40,41)(H,42,43);7-17H,1-6H3,(H,30,31,33);5-6,10H,4,7-9H2,1-3H3;3H,1-2,6H2,(H,7,8,9);2H,1H3;;1H2/q;;;;;;;;+1;/p-1
InChIKeyRMDLULVODPCHJM-UHFFFAOYSA-M
MW3746.07 g/mol
LogP29.73
Rot. Bonds57

About sodium;3-aminopiperidine-2,6-dione;tert-butyl 2-[4-[6-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]propyl]-3-pyridinyl]phenyl]pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 2-[4-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]phenyl]pyrrolo[2,3-c]pyridine-1-carboxylate;5-[2-[3-[5-[4-(7H-cyclopenta[c]pyridin-6-yl)phenyl]-2-pyridinyl]propoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dimethyl 4-[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-[5-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]benzene-1,2-dicarboxylate;dimethyl 4-(2-propoxyethoxy)benzene-1,2-dicarboxylate;methanol;4-[2-[3-[5-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]phenyl]-2-pyridinyl]propoxy]ethoxy]phthalic acid;hydroxide

sodium;3-aminopiperidine-2,6-dione;tert-butyl 2-[4-[6-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]propyl]-3-pyridinyl]phenyl]pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 2-[4-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]phenyl]pyrrolo[2,3-c]pyridine-1-carboxylate;5-[2-[3-[5-[4-(7H-cyclopenta[c]pyridin-6-yl)phenyl]-2-pyridinyl]propoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dimethyl 4-[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-[5-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]benzene-1,2-dicarboxylate;dimethyl 4-(2-propoxyethoxy)benzene-1,2-dicarboxylate;methanol;4-[2-[3-[5-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]phenyl]-2-pyridinyl]propoxy]ethoxy]phthalic acid;hydroxide (PubChem CID 165062818) has the molecular formula C205H215N22NaO46 and a molecular weight of 3746.07 g/mol. Its IUPAC name is sodium;3-aminopiperidine-2,6-dione;tert-butyl 2-[4-[6-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]propyl]-3-pyridinyl]phenyl]pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 2-[4-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]phenyl]pyrrolo[2,3-c]pyridine-1-carboxylate;5-[2-[3-[5-[4-(7H-cyclopenta[c]pyridin-6-yl)phenyl]-2-pyridinyl]propoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dimethyl 4-[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-[5-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]benzene-1,2-dicarboxylate;dimethyl 4-(2-propoxyethoxy)benzene-1,2-dicarboxylate;methanol;4-[2-[3-[5-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]phenyl]-2-pyridinyl]propoxy]ethoxy]phthalic acid;hydroxide.

Molecular Properties

Compound Namesodium;3-aminopiperidine-2,6-dione;tert-butyl 2-[4-[6-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]propyl]-3-pyridinyl]phenyl]pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 2-[4-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]phenyl]pyrrolo[2,3-c]pyridine-1-carboxylate;5-[2-[3-[5-[4-(7H-cyclopenta[c]pyridin-6-yl)phenyl]-2-pyridinyl]propoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dimethyl 4-[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-[5-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]benzene-1,2-dicarboxylate;dimethyl 4-(2-propoxyethoxy)benzene-1,2-dicarboxylate;methanol;4-[2-[3-[5-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]phenyl]-2-pyridinyl]propoxy]ethoxy]phthalic acid;hydroxide
PubChem CID165062818
Molecular FormulaC205H215N22NaO46
Molecular Weight3746.07 g/mol
Exact Mass3743.51
IUPAC Namesodium;3-aminopiperidine-2,6-dione;tert-butyl 2-[4-[6-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]propyl]-3-pyridinyl]phenyl]pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 2-[4-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]phenyl]pyrrolo[2,3-c]pyridine-1-carboxylate;5-[2-[3-[5-[4-(7H-cyclopenta[c]pyridin-6-yl)phenyl]-2-pyridinyl]propoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dimethyl 4-[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-[5-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]benzene-1,2-dicarboxylate;dimethyl 4-(2-propoxyethoxy)benzene-1,2-dicarboxylate;methanol;4-[2-[3-[5-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]phenyl]-2-pyridinyl]propoxy]ethoxy]phthalic acid;hydroxide
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2ccc(-c3cc4ccncc4n3C(=O)OC(C)(C)C)cc2)cn1.CC(C)(C)OC(=O)n1c(-c2ccc(-c3ccc(CCCOCCOc4ccc(C(=O)O)c(C(=O)O)c4)nc3)cc2)cc2ccncc21.CC(C)(C)OC(=O)n1c(-c2ccc(-c3ccc(CCCOCCOc4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)nc3)cc2)cc2ccncc21.CCCOCCOc1ccc(C(=O)OC)c(C(=O)OC)c1.CO.COC(=O)c1ccc(OCCOCCN(C(=O)OC(C)(C)C)c2ccc(-c3ccc(-c4cc5ccncc5n4C(=O)OC(C)(C)C)cc3)cn2)cc1C(=O)OC.NC1CCC(=O)NC1=O.O=C1CCC(N2C(=O)c3ccc(OCCOCCCc4ccc(-c5ccc(C6=Cc7ccncc7C6)cc5)cn4)cc3C2=O)C(=O)N1.[Na+].[OH-]
InChIInChI=1S/C42H46N4O10.C41H39N5O8.C37H32N4O6.C36H35N3O8.C28H30N4O4.C15H20O6.C5H8N2O2.CH4O.Na.H2O/c1-41(2,3)55-39(49)45(19-20-53-21-22-54-31-14-15-32(37(47)51-7)33(24-31)38(48)52-8)36-16-13-30(25-44-36)27-9-11-28(12-10-27)34-23-29-17-18-43-26-35(29)46(34)40(50)56-42(4,5)6;1-41(2,3)54-40(51)45-34(21-27-16-17-42-24-35(27)45)26-8-6-25(7-9-26)28-10-11-29(43-23-28)5-4-18-52-19-20-53-30-12-13-31-32(22-30)39(50)46(38(31)49)33-14-15-36(47)44-37(33)48;42-34-12-11-33(35(43)40-34)41-36(44)31-10-9-30(20-32(31)37(41)45)47-17-16-46-15-1-2-29-8-7-26(22-39-29)23-3-5-24(6-4-23)27-18-25-13-14-38-21-28(25)19-27;1-36(2,3)47-35(44)39-31(19-25-14-15-37-22-32(25)39)24-8-6-23(7-9-24)26-10-11-27(38-21-26)5-4-16-45-17-18-46-28-12-13-29(33(40)41)30(20-28)34(42)43;1-27(2,3)35-25(33)31-24-12-11-21(16-30-24)18-7-9-19(10-8-18)22-15-20-13-14-29-17-23(20)32(22)26(34)36-28(4,5)6;1-4-7-20-8-9-21-11-5-6-12(14(16)18-2)13(10-11)15(17)19-3;6-3-1-2-4(8)7-5(3)9;1-2;;/h9-18,23-26H,19-22H2,1-8H3;6-13,16-17,21-24,33H,4-5,14-15,18-20H2,1-3H3,(H,44,47,48);3-10,13-14,18,20-22,33H,1-2,11-12,15-17,19H2,(H,40,42,43);6-15,19-22H,4-5,16-18H2,1-3H3,(H,40,41)(H,42,43);7-17H,1-6H3,(H,30,31,33);5-6,10H,4,7-9H2,1-3H3;3H,1-2,6H2,(H,7,8,9);2H,1H3;;1H2/q;;;;;;;;+1;/p-1
InChIKeyRMDLULVODPCHJM-UHFFFAOYSA-M
XLogP29.73
TPSA883.31 Ų
H-Bond Donors8
H-Bond Acceptors59
Rotatable Bonds57
Heavy Atoms274
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003746.07
LogP ≤ 529.73
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1059

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze sodium;3-aminopiperidine-2,6-dione;tert-butyl 2-[4-[6-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]propyl]-3-pyridinyl]phenyl]pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 2-[4-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]phenyl]pyrrolo[2,3-c]pyridine-1-carboxylate;5-[2-[3-[5-[4-(7H-cyclopenta[c]pyridin-6-yl)phenyl]-2-pyridinyl]propoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dimethyl 4-[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-[5-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]benzene-1,2-dicarboxylate;dimethyl 4-(2-propoxyethoxy)benzene-1,2-dicarboxylate;methanol;4-[2-[3-[5-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]phenyl]-2-pyridinyl]propoxy]ethoxy]phthalic acid;hydroxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of sodium;3-aminopiperidine-2,6-dione;tert-butyl 2-[4-[6-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]propyl]-3-pyridinyl]phenyl]pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 2-[4-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]phenyl]pyrrolo[2,3-c]pyridine-1-carboxylate;5-[2-[3-[5-[4-(7H-cyclopenta[c]pyridin-6-yl)phenyl]-2-pyridinyl]propoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dimethyl 4-[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-[5-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]benzene-1,2-dicarboxylate;dimethyl 4-(2-propoxyethoxy)benzene-1,2-dicarboxylate;methanol;4-[2-[3-[5-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]phenyl]-2-pyridinyl]propoxy]ethoxy]phthalic acid;hydroxide?
The IUPAC name of sodium;3-aminopiperidine-2,6-dione;tert-butyl 2-[4-[6-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]propyl]-3-pyridinyl]phenyl]pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 2-[4-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]phenyl]pyrrolo[2,3-c]pyridine-1-carboxylate;5-[2-[3-[5-[4-(7H-cyclopenta[c]pyridin-6-yl)phenyl]-2-pyridinyl]propoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dimethyl 4-[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-[5-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]benzene-1,2-dicarboxylate;dimethyl 4-(2-propoxyethoxy)benzene-1,2-dicarboxylate;methanol;4-[2-[3-[5-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]phenyl]-2-pyridinyl]propoxy]ethoxy]phthalic acid;hydroxide (CID 165062818) is sodium;3-aminopiperidine-2,6-dione;tert-butyl 2-[4-[6-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]propyl]-3-pyridinyl]phenyl]pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 2-[4-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]phenyl]pyrrolo[2,3-c]pyridine-1-carboxylate;5-[2-[3-[5-[4-(7H-cyclopenta[c]pyridin-6-yl)phenyl]-2-pyridinyl]propoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dimethyl 4-[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-[5-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]benzene-1,2-dicarboxylate;dimethyl 4-(2-propoxyethoxy)benzene-1,2-dicarboxylate;methanol;4-[2-[3-[5-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]phenyl]-2-pyridinyl]propoxy]ethoxy]phthalic acid;hydroxide.
What is the SMILES notation for sodium;3-aminopiperidine-2,6-dione;tert-butyl 2-[4-[6-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]propyl]-3-pyridinyl]phenyl]pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 2-[4-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]phenyl]pyrrolo[2,3-c]pyridine-1-carboxylate;5-[2-[3-[5-[4-(7H-cyclopenta[c]pyridin-6-yl)phenyl]-2-pyridinyl]propoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dimethyl 4-[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-[5-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]benzene-1,2-dicarboxylate;dimethyl 4-(2-propoxyethoxy)benzene-1,2-dicarboxylate;methanol;4-[2-[3-[5-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]phenyl]-2-pyridinyl]propoxy]ethoxy]phthalic acid;hydroxide?
The canonical SMILES for sodium;3-aminopiperidine-2,6-dione;tert-butyl 2-[4-[6-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]propyl]-3-pyridinyl]phenyl]pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 2-[4-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]phenyl]pyrrolo[2,3-c]pyridine-1-carboxylate;5-[2-[3-[5-[4-(7H-cyclopenta[c]pyridin-6-yl)phenyl]-2-pyridinyl]propoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dimethyl 4-[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-[5-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]benzene-1,2-dicarboxylate;dimethyl 4-(2-propoxyethoxy)benzene-1,2-dicarboxylate;methanol;4-[2-[3-[5-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]phenyl]-2-pyridinyl]propoxy]ethoxy]phthalic acid;hydroxide is CC(C)(C)OC(=O)Nc1ccc(-c2ccc(-c3cc4ccncc4n3C(=O)OC(C)(C)C)cc2)cn1.CC(C)(C)OC(=O)n1c(-c2ccc(-c3ccc(CCCOCCOc4ccc(C(=O)O)c(C(=O)O)c4)nc3)cc2)cc2ccncc21.CC(C)(C)OC(=O)n1c(-c2ccc(-c3ccc(CCCOCCOc4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)nc3)cc2)cc2ccncc21.CCCOCCOc1ccc(C(=O)OC)c(C(=O)OC)c1.CO.COC(=O)c1ccc(OCCOCCN(C(=O)OC(C)(C)C)c2ccc(-c3ccc(-c4cc5ccncc5n4C(=O)OC(C)(C)C)cc3)cn2)cc1C(=O)OC.NC1CCC(=O)NC1=O.O=C1CCC(N2C(=O)c3ccc(OCCOCCCc4ccc(-c5ccc(C6=Cc7ccncc7C6)cc5)cn4)cc3C2=O)C(=O)N1.[Na+].[OH-].
What is the InChIKey of sodium;3-aminopiperidine-2,6-dione;tert-butyl 2-[4-[6-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]propyl]-3-pyridinyl]phenyl]pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 2-[4-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]phenyl]pyrrolo[2,3-c]pyridine-1-carboxylate;5-[2-[3-[5-[4-(7H-cyclopenta[c]pyridin-6-yl)phenyl]-2-pyridinyl]propoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dimethyl 4-[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-[5-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]benzene-1,2-dicarboxylate;dimethyl 4-(2-propoxyethoxy)benzene-1,2-dicarboxylate;methanol;4-[2-[3-[5-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]phenyl]-2-pyridinyl]propoxy]ethoxy]phthalic acid;hydroxide?
The InChIKey is RMDLULVODPCHJM-UHFFFAOYSA-M. The full InChI is InChI=1S/C42H46N4O10.C41H39N5O8.C37H32N4O6.C36H35N3O8.C28H30N4O4.C15H20O6.C5H8N2O2.CH4O.Na.H2O/c1-41(2,3)55-39(49)45(19-20-53-21-22-54-31-14-15-32(37(47)51-7)33(24-31)38(48)52-8)36-16-13-30(25-44-36)27-9-11-28(12-10-27)34-23-29-17-18-43-26-35(29)46(34)40(50)56-42(4,5)6;1-41(2,3)54-40(51)45-34(21-27-16-17-42-24-35(27)45)26-8-6-25(7-9-26)28-10-11-29(43-23-28)5-4-18-52-19-20-53-30-12-13-31-32(22-30)39(50)46(38(31)49)33-14-15-36(47)44-37(33)48;42-34-12-11-33(35(43)40-34)41-36(44)31-10-9-30(20-32(31)37(41)45)47-17-16-46-15-1-2-29-8-7-26(22-39-29)23-3-5-24(6-4-23)27-18-25-13-14-38-21-28(25)19-27;1-36(2,3)47-35(44)39-31(19-25-14-15-37-22-32(25)39)24-8-6-23(7-9-24)26-10-11-27(38-21-26)5-4-16-45-17-18-46-28-12-13-29(33(40)41)30(20-28)34(42)43;1-27(2,3)35-25(33)31-24-12-11-21(16-30-24)18-7-9-19(10-8-18)22-15-20-13-14-29-17-23(20)32(22)26(34)36-28(4,5)6;1-4-7-20-8-9-21-11-5-6-12(14(16)18-2)13(10-11)15(17)19-3;6-3-1-2-4(8)7-5(3)9;1-2;;/h9-18,23-26H,19-22H2,1-8H3;6-13,16-17,21-24,33H,4-5,14-15,18-20H2,1-3H3,(H,44,47,48);3-10,13-14,18,20-22,33H,1-2,11-12,15-17,19H2,(H,40,42,43);6-15,19-22H,4-5,16-18H2,1-3H3,(H,40,41)(H,42,43);7-17H,1-6H3,(H,30,31,33);5-6,10H,4,7-9H2,1-3H3;3H,1-2,6H2,(H,7,8,9);2H,1H3;;1H2/q;;;;;;;;+1;/p-1.
What are the key properties of sodium;3-aminopiperidine-2,6-dione;tert-butyl 2-[4-[6-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]propyl]-3-pyridinyl]phenyl]pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 2-[4-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]phenyl]pyrrolo[2,3-c]pyridine-1-carboxylate;5-[2-[3-[5-[4-(7H-cyclopenta[c]pyridin-6-yl)phenyl]-2-pyridinyl]propoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dimethyl 4-[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-[5-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]benzene-1,2-dicarboxylate;dimethyl 4-(2-propoxyethoxy)benzene-1,2-dicarboxylate;methanol;4-[2-[3-[5-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]phenyl]-2-pyridinyl]propoxy]ethoxy]phthalic acid;hydroxide?
sodium;3-aminopiperidine-2,6-dione;tert-butyl 2-[4-[6-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]propyl]-3-pyridinyl]phenyl]pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 2-[4-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]phenyl]pyrrolo[2,3-c]pyridine-1-carboxylate;5-[2-[3-[5-[4-(7H-cyclopenta[c]pyridin-6-yl)phenyl]-2-pyridinyl]propoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dimethyl 4-[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-[5-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]benzene-1,2-dicarboxylate;dimethyl 4-(2-propoxyethoxy)benzene-1,2-dicarboxylate;methanol;4-[2-[3-[5-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]phenyl]-2-pyridinyl]propoxy]ethoxy]phthalic acid;hydroxide has a molecular weight of 3746.07 g/mol, XLogP of 29.73, 57 rotatable bonds, 8 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3-aminopiperidine-2,6-dione;tert-butyl 2-[4-[6-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]propyl]-3-pyridinyl]phenyl]pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 2-[4-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]phenyl]pyrrolo[2,3-c]pyridine-1-carboxylate;5-[2-[3-[5-[4-(7H-cyclopenta[c]pyridin-6-yl)phenyl]-2-pyridinyl]propoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dimethyl 4-[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-[5-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]benzene-1,2-dicarboxylate;dimethyl 4-(2-propoxyethoxy)benzene-1,2-dicarboxylate;methanol;4-[2-[3-[5-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]phenyl]-2-pyridinyl]propoxy]ethoxy]phthalic acid;hydroxide is sourced from PubChem (CID 165062818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).