5-[2-[2-[2-[2-[2-[[5-(8,9-difluoro-5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C39H37F2N5O10 — CID 134481309

IUPAC5-[2-[2-[2-[2-[2-[[5-(8,9-difluoro-5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(OCCOCCOCCOCCOCCOc4ccc(-c5cc6[nH]c7ccncc7c6c(F)c5F)cn4)cc3C2=O)C(=O)N1
InChIInChI=1S/C39H37F2N5O10/c40-35-26(20-30-34(36(35)41)28-22-42-8-7-29(28)44-30)23-1-6-33(43-21-23)56-18-16-54-14-12-52-10-9-51-11-13-53-15-17-55-24-2-3-25-27(19-24)39(50)46(38(25)49)31-4-5-32(47)45-37(31)48/h1-3,6-8,19-22,31,44H,4-5,9-18H2,(H,45,47,48)
InChIKeyFMIXXWFGLXVMFY-UHFFFAOYSA-N
MW773.75 g/mol
LogP3.98
Rot. Bonds19

About 5-[2-[2-[2-[2-[2-[[5-(8,9-difluoro-5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

5-[2-[2-[2-[2-[2-[[5-(8,9-difluoro-5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 134481309) has the molecular formula C39H37F2N5O10 and a molecular weight of 773.75 g/mol. Its IUPAC name is 5-[2-[2-[2-[2-[2-[[5-(8,9-difluoro-5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-[2-[2-[2-[2-[2-[[5-(8,9-difluoro-5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID134481309
Molecular FormulaC39H37F2N5O10
Molecular Weight773.75 g/mol
Exact Mass773.25
IUPAC Name5-[2-[2-[2-[2-[2-[[5-(8,9-difluoro-5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(OCCOCCOCCOCCOCCOc4ccc(-c5cc6[nH]c7ccncc7c6c(F)c5F)cn4)cc3C2=O)C(=O)N1
InChIInChI=1S/C39H37F2N5O10/c40-35-26(20-30-34(36(35)41)28-22-42-8-7-29(28)44-30)23-1-6-33(43-21-23)56-18-16-54-14-12-52-10-9-51-11-13-53-15-17-55-24-2-3-25-27(19-24)39(50)46(38(25)49)31-4-5-32(47)45-37(31)48/h1-3,6-8,19-22,31,44H,4-5,9-18H2,(H,45,47,48)
InChIKeyFMIXXWFGLXVMFY-UHFFFAOYSA-N
XLogP3.98
TPSA180.50 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.75
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 5-[2-[2-[2-[2-[2-[[5-(8,9-difluoro-5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[2-[2-[2-[[5-(8,9-difluoro-5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 5-[2-[2-[2-[2-[2-[[5-(8,9-difluoro-5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 134481309) is 5-[2-[2-[2-[2-[2-[[5-(8,9-difluoro-5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 5-[2-[2-[2-[2-[2-[[5-(8,9-difluoro-5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 5-[2-[2-[2-[2-[2-[[5-(8,9-difluoro-5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(OCCOCCOCCOCCOCCOc4ccc(-c5cc6[nH]c7ccncc7c6c(F)c5F)cn4)cc3C2=O)C(=O)N1.
What is the InChIKey of 5-[2-[2-[2-[2-[2-[[5-(8,9-difluoro-5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is FMIXXWFGLXVMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H37F2N5O10/c40-35-26(20-30-34(36(35)41)28-22-42-8-7-29(28)44-30)23-1-6-33(43-21-23)56-18-16-54-14-12-52-10-9-51-11-13-53-15-17-55-24-2-3-25-27(19-24)39(50)46(38(25)49)31-4-5-32(47)45-37(31)48/h1-3,6-8,19-22,31,44H,4-5,9-18H2,(H,45,47,48).
What are the key properties of 5-[2-[2-[2-[2-[2-[[5-(8,9-difluoro-5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
5-[2-[2-[2-[2-[2-[[5-(8,9-difluoro-5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 773.75 g/mol, XLogP of 3.98, 19 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-[2-[2-[2-[[5-(8,9-difluoro-5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 134481309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).