2-[4-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethyl]piperazin-1-yl]-N-[1-(1H-indol-3-yl)hexan-2-yl]-1,3-thiazole-5-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5-[2-(2-propoxyethoxy)ethoxy]isoindole-1,3-dione;3-(1H-indol-3-ylmethyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)heptan-1-one

C84H103N13O16S2 — CID 158576682

IUPAC2-[4-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethyl]piperazin-1-yl]-N-[1-(1H-indol-3-yl)hexan-2-yl]-1,3-thiazole-5-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5-[2-(2-propoxyethoxy)ethoxy]isoindole-1,3-dione;3-(1H-indol-3-ylmethyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)heptan-1-one
SMILESCCCCC(CC(=O)c1cnc(N2CCNCC2)s1)Cc1c[nH]c2ccccc12.CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(N2CCN(CCOCCOCCOc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)s1.CCCOCCOCCOc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C41H49N7O8S.C23H30N4OS.C20H24N2O7/c1-2-3-6-28(23-27-25-42-33-8-5-4-7-30(27)33)44-38(51)35-26-43-41(57-35)47-15-13-46(14-16-47)17-18-54-19-20-55-21-22-56-29-9-10-31-32(24-29)40(53)48(39(31)52)34-11-12-36(49)45-37(34)50;1-2-3-6-17(13-18-15-25-20-8-5-4-7-19(18)20)14-21(28)22-16-26-23(29-22)27-11-9-24-10-12-27;1-2-7-27-8-9-28-10-11-29-13-3-4-14-15(12-13)20(26)22(19(14)25)16-5-6-17(23)21-18(16)24/h4-5,7-10,24-26,28,34,42H,2-3,6,11-23H2,1H3,(H,44,51)(H,45,49,50);4-5,7-8,15-17,24-25H,2-3,6,9-14H2,1H3;3-4,12,16H,2,5-11H2,1H3,(H,21,23,24)
InChIKeyHSTAHXVKFLBPDL-UHFFFAOYSA-N
MW1614.96 g/mol
LogP9.36
Rot. Bonds38

About 2-[4-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethyl]piperazin-1-yl]-N-[1-(1H-indol-3-yl)hexan-2-yl]-1,3-thiazole-5-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5-[2-(2-propoxyethoxy)ethoxy]isoindole-1,3-dione;3-(1H-indol-3-ylmethyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)heptan-1-one

2-[4-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethyl]piperazin-1-yl]-N-[1-(1H-indol-3-yl)hexan-2-yl]-1,3-thiazole-5-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5-[2-(2-propoxyethoxy)ethoxy]isoindole-1,3-dione;3-(1H-indol-3-ylmethyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)heptan-1-one (PubChem CID 158576682) has the molecular formula C84H103N13O16S2 and a molecular weight of 1614.96 g/mol. Its IUPAC name is 2-[4-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethyl]piperazin-1-yl]-N-[1-(1H-indol-3-yl)hexan-2-yl]-1,3-thiazole-5-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5-[2-(2-propoxyethoxy)ethoxy]isoindole-1,3-dione;3-(1H-indol-3-ylmethyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)heptan-1-one.

Molecular Properties

Compound Name2-[4-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethyl]piperazin-1-yl]-N-[1-(1H-indol-3-yl)hexan-2-yl]-1,3-thiazole-5-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5-[2-(2-propoxyethoxy)ethoxy]isoindole-1,3-dione;3-(1H-indol-3-ylmethyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)heptan-1-one
PubChem CID158576682
Molecular FormulaC84H103N13O16S2
Molecular Weight1614.96 g/mol
Exact Mass1613.71
IUPAC Name2-[4-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethyl]piperazin-1-yl]-N-[1-(1H-indol-3-yl)hexan-2-yl]-1,3-thiazole-5-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5-[2-(2-propoxyethoxy)ethoxy]isoindole-1,3-dione;3-(1H-indol-3-ylmethyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)heptan-1-one
SMILESCCCCC(CC(=O)c1cnc(N2CCNCC2)s1)Cc1c[nH]c2ccccc12.CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(N2CCN(CCOCCOCCOc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)s1.CCCOCCOCCOc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C41H49N7O8S.C23H30N4OS.C20H24N2O7/c1-2-3-6-28(23-27-25-42-33-8-5-4-7-30(27)33)44-38(51)35-26-43-41(57-35)47-15-13-46(14-16-47)17-18-54-19-20-55-21-22-56-29-9-10-31-32(24-29)40(53)48(39(31)52)34-11-12-36(49)45-37(34)50;1-2-3-6-17(13-18-15-25-20-8-5-4-7-19(18)20)14-21(28)22-16-26-23(29-22)27-11-9-24-10-12-27;1-2-7-27-8-9-28-10-11-29-13-3-4-14-15(12-13)20(26)22(19(14)25)16-5-6-17(23)21-18(16)24/h4-5,7-10,24-26,28,34,42H,2-3,6,11-23H2,1H3,(H,44,51)(H,45,49,50);4-5,7-8,15-17,24-25H,2-3,6,9-14H2,1H3;3-4,12,16H,2,5-11H2,1H3,(H,21,23,24)
InChIKeyHSTAHXVKFLBPDL-UHFFFAOYSA-N
XLogP9.36
TPSA347.76 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds38
Heavy Atoms115
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001614.96
LogP ≤ 59.36
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 2-[4-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethyl]piperazin-1-yl]-N-[1-(1H-indol-3-yl)hexan-2-yl]-1,3-thiazole-5-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5-[2-(2-propoxyethoxy)ethoxy]isoindole-1,3-dione;3-(1H-indol-3-ylmethyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)heptan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethyl]piperazin-1-yl]-N-[1-(1H-indol-3-yl)hexan-2-yl]-1,3-thiazole-5-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5-[2-(2-propoxyethoxy)ethoxy]isoindole-1,3-dione;3-(1H-indol-3-ylmethyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)heptan-1-one?
The IUPAC name of 2-[4-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethyl]piperazin-1-yl]-N-[1-(1H-indol-3-yl)hexan-2-yl]-1,3-thiazole-5-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5-[2-(2-propoxyethoxy)ethoxy]isoindole-1,3-dione;3-(1H-indol-3-ylmethyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)heptan-1-one (CID 158576682) is 2-[4-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethyl]piperazin-1-yl]-N-[1-(1H-indol-3-yl)hexan-2-yl]-1,3-thiazole-5-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5-[2-(2-propoxyethoxy)ethoxy]isoindole-1,3-dione;3-(1H-indol-3-ylmethyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)heptan-1-one.
What is the SMILES notation for 2-[4-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethyl]piperazin-1-yl]-N-[1-(1H-indol-3-yl)hexan-2-yl]-1,3-thiazole-5-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5-[2-(2-propoxyethoxy)ethoxy]isoindole-1,3-dione;3-(1H-indol-3-ylmethyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)heptan-1-one?
The canonical SMILES for 2-[4-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethyl]piperazin-1-yl]-N-[1-(1H-indol-3-yl)hexan-2-yl]-1,3-thiazole-5-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5-[2-(2-propoxyethoxy)ethoxy]isoindole-1,3-dione;3-(1H-indol-3-ylmethyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)heptan-1-one is CCCCC(CC(=O)c1cnc(N2CCNCC2)s1)Cc1c[nH]c2ccccc12.CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(N2CCN(CCOCCOCCOc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)s1.CCCOCCOCCOc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 2-[4-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethyl]piperazin-1-yl]-N-[1-(1H-indol-3-yl)hexan-2-yl]-1,3-thiazole-5-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5-[2-(2-propoxyethoxy)ethoxy]isoindole-1,3-dione;3-(1H-indol-3-ylmethyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)heptan-1-one?
The InChIKey is HSTAHXVKFLBPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H49N7O8S.C23H30N4OS.C20H24N2O7/c1-2-3-6-28(23-27-25-42-33-8-5-4-7-30(27)33)44-38(51)35-26-43-41(57-35)47-15-13-46(14-16-47)17-18-54-19-20-55-21-22-56-29-9-10-31-32(24-29)40(53)48(39(31)52)34-11-12-36(49)45-37(34)50;1-2-3-6-17(13-18-15-25-20-8-5-4-7-19(18)20)14-21(28)22-16-26-23(29-22)27-11-9-24-10-12-27;1-2-7-27-8-9-28-10-11-29-13-3-4-14-15(12-13)20(26)22(19(14)25)16-5-6-17(23)21-18(16)24/h4-5,7-10,24-26,28,34,42H,2-3,6,11-23H2,1H3,(H,44,51)(H,45,49,50);4-5,7-8,15-17,24-25H,2-3,6,9-14H2,1H3;3-4,12,16H,2,5-11H2,1H3,(H,21,23,24).
What are the key properties of 2-[4-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethyl]piperazin-1-yl]-N-[1-(1H-indol-3-yl)hexan-2-yl]-1,3-thiazole-5-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5-[2-(2-propoxyethoxy)ethoxy]isoindole-1,3-dione;3-(1H-indol-3-ylmethyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)heptan-1-one?
2-[4-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethyl]piperazin-1-yl]-N-[1-(1H-indol-3-yl)hexan-2-yl]-1,3-thiazole-5-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5-[2-(2-propoxyethoxy)ethoxy]isoindole-1,3-dione;3-(1H-indol-3-ylmethyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)heptan-1-one has a molecular weight of 1614.96 g/mol, XLogP of 9.36, 38 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethyl]piperazin-1-yl]-N-[1-(1H-indol-3-yl)hexan-2-yl]-1,3-thiazole-5-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5-[2-(2-propoxyethoxy)ethoxy]isoindole-1,3-dione;3-(1H-indol-3-ylmethyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)heptan-1-one is sourced from PubChem (CID 158576682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).