2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[[5-(4-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione

C40H40FN5O10 — CID 134481471

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[[5-(4-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione
SMILESCn1c2cc(-c3ccc(OCCOCCOCCOCCOCCOc4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)nc3)ccc2c2cncc(F)c21
InChIInChI=1S/C40H40FN5O10/c1-45-34-20-25(2-5-28(34)31-23-42-24-32(41)37(31)45)26-3-9-36(43-22-26)56-19-17-54-15-13-52-11-10-51-12-14-53-16-18-55-27-4-6-29-30(21-27)40(50)46(39(29)49)33-7-8-35(47)44-38(33)48/h2-6,9,20-24,33H,7-8,10-19H2,1H3,(H,44,47,48)
InChIKeyJBYYGUJXQQZHNG-UHFFFAOYSA-N
MW769.78 g/mol
LogP3.85
Rot. Bonds19

About 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[[5-(4-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[[5-(4-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione (PubChem CID 134481471) has the molecular formula C40H40FN5O10 and a molecular weight of 769.78 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[[5-(4-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[[5-(4-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione
PubChem CID134481471
Molecular FormulaC40H40FN5O10
Molecular Weight769.78 g/mol
Exact Mass769.28
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[[5-(4-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione
SMILESCn1c2cc(-c3ccc(OCCOCCOCCOCCOCCOc4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)nc3)ccc2c2cncc(F)c21
InChIInChI=1S/C40H40FN5O10/c1-45-34-20-25(2-5-28(34)31-23-42-24-32(41)37(31)45)26-3-9-36(43-22-26)56-19-17-54-15-13-52-11-10-51-12-14-53-16-18-55-27-4-6-29-30(21-27)40(50)46(39(29)49)33-7-8-35(47)44-38(33)48/h2-6,9,20-24,33H,7-8,10-19H2,1H3,(H,44,47,48)
InChIKeyJBYYGUJXQQZHNG-UHFFFAOYSA-N
XLogP3.85
TPSA169.64 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds19
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.78
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[[5-(4-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[[5-(4-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione (CID 134481471) is 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[[5-(4-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[[5-(4-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[[5-(4-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione is Cn1c2cc(-c3ccc(OCCOCCOCCOCCOCCOc4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)nc3)ccc2c2cncc(F)c21.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[[5-(4-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione?
The InChIKey is JBYYGUJXQQZHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H40FN5O10/c1-45-34-20-25(2-5-28(34)31-23-42-24-32(41)37(31)45)26-3-9-36(43-22-26)56-19-17-54-15-13-52-11-10-51-12-14-53-16-18-55-27-4-6-29-30(21-27)40(50)46(39(29)49)33-7-8-35(47)44-38(33)48/h2-6,9,20-24,33H,7-8,10-19H2,1H3,(H,44,47,48).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[[5-(4-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[[5-(4-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione has a molecular weight of 769.78 g/mol, XLogP of 3.85, 19 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[[5-(4-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione is sourced from PubChem (CID 134481471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).