5-[2-[2-[2-[2-[2-[[5-[5-(difluoromethyl)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

C40H39F2N5O10 — CID 134481368

IUPAC5-[2-[2-[2-[2-[2-[[5-[5-(difluoromethyl)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(-c5ccc6c7cnccc7n(C(F)F)c6c5)cn4)cc3C2=O)C(=O)N1
InChIInChI=1S/C40H39F2N5O10/c41-40(42)46-32-9-10-43-24-31(32)28-4-1-25(21-34(28)46)26-2-8-36(44-23-26)57-20-18-55-16-14-53-12-11-52-13-15-54-17-19-56-27-3-5-29-30(22-27)39(51)47(38(29)50)33-6-7-35(48)45-37(33)49/h1-5,8-10,21-24,33,40H,6-7,11-20H2,(H,45,48,49)
InChIKeyOEKOSNJRSUQVFE-UHFFFAOYSA-N
MW787.77 g/mol
LogP4.57
Rot. Bonds20

About 5-[2-[2-[2-[2-[2-[[5-[5-(difluoromethyl)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-[5-(difluoromethyl)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 134481368) has the molecular formula C40H39F2N5O10 and a molecular weight of 787.77 g/mol. Its IUPAC name is 5-[2-[2-[2-[2-[2-[[5-[5-(difluoromethyl)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-[5-(difluoromethyl)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 CID134481368
Molecular FormulaC40H39F2N5O10
Molecular Weight787.77 g/mol
Exact Mass787.27
IUPAC Name5-[2-[2-[2-[2-[2-[[5-[5-(difluoromethyl)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(-c5ccc6c7cnccc7n(C(F)F)c6c5)cn4)cc3C2=O)C(=O)N1
InChIInChI=1S/C40H39F2N5O10/c41-40(42)46-32-9-10-43-24-31(32)28-4-1-25(21-34(28)46)26-2-8-36(44-23-26)57-20-18-55-16-14-53-12-11-52-13-15-54-17-19-56-27-3-5-29-30(22-27)39(51)47(38(29)50)33-6-7-35(48)45-37(33)49/h1-5,8-10,21-24,33,40H,6-7,11-20H2,(H,45,48,49)
InChIKeyOEKOSNJRSUQVFE-UHFFFAOYSA-N
XLogP4.57
TPSA169.64 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds20
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.77
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

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-[5-(difluoromethyl)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-[5-(difluoromethyl)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-[5-(difluoromethyl)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 134481368) is 5-[2-[2-[2-[2-[2-[[5-[5-(difluoromethyl)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-[5-(difluoromethyl)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-[5-(difluoromethyl)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(-c5ccc6c7cnccc7n(C(F)F)c6c5)cn4)cc3C2=O)C(=O)N1.
What is the InChIKey of 5-[2-[2-[2-[2-[2-[[5-[5-(difluoromethyl)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 OEKOSNJRSUQVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H39F2N5O10/c41-40(42)46-32-9-10-43-24-31(32)28-4-1-25(21-34(28)46)26-2-8-36(44-23-26)57-20-18-55-16-14-53-12-11-52-13-15-54-17-19-56-27-3-5-29-30(22-27)39(51)47(38(29)50)33-6-7-35(48)45-37(33)49/h1-5,8-10,21-24,33,40H,6-7,11-20H2,(H,45,48,49).
What are the key properties of 5-[2-[2-[2-[2-[2-[[5-[5-(difluoromethyl)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-[5-(difluoromethyl)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 787.77 g/mol, XLogP of 4.57, 20 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-[2-[2-[2-[[5-[5-(difluoromethyl)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 134481368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).