2-(2,6-dioxopiperidin-3-yl)-5-[1-[3-[3-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxypropoxy]propyl]azetidin-3-yl]oxyisoindole-1,3-dione

C43H41F3N6O8 — CID 134481676

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-[1-[3-[3-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxypropoxy]propyl]azetidin-3-yl]oxyisoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(OC4CN(CCCOCCCOC5CC(Oc6ncc(-c7ccc8c(c7)[nH]c7ccncc78)cc6C(F)(F)F)C5)C4)cc3C2=O)C(=O)N1
InChIInChI=1S/C43H41F3N6O8/c44-43(45,46)34-15-25(24-3-5-30-33-21-47-10-9-35(33)49-36(30)16-24)20-48-40(34)60-28-17-27(18-28)58-14-2-13-57-12-1-11-51-22-29(23-51)59-26-4-6-31-32(19-26)42(56)52(41(31)55)37-7-8-38(53)50-39(37)54/h3-6,9-10,15-16,19-21,27-29,37,49H,1-2,7-8,11-14,17-18,22-23H2,(H,50,53,54)
InChIKeyPRODWFFGBOKDFC-UHFFFAOYSA-N
MW826.83 g/mol
LogP5.68
Rot. Bonds15

About 2-(2,6-dioxopiperidin-3-yl)-5-[1-[3-[3-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxypropoxy]propyl]azetidin-3-yl]oxyisoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[1-[3-[3-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxypropoxy]propyl]azetidin-3-yl]oxyisoindole-1,3-dione (PubChem CID 134481676) has the molecular formula C43H41F3N6O8 and a molecular weight of 826.83 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[1-[3-[3-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxypropoxy]propyl]azetidin-3-yl]oxyisoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-[1-[3-[3-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxypropoxy]propyl]azetidin-3-yl]oxyisoindole-1,3-dione
PubChem CID134481676
Molecular FormulaC43H41F3N6O8
Molecular Weight826.83 g/mol
Exact Mass826.29
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-[1-[3-[3-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxypropoxy]propyl]azetidin-3-yl]oxyisoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(OC4CN(CCCOCCCOC5CC(Oc6ncc(-c7ccc8c(c7)[nH]c7ccncc78)cc6C(F)(F)F)C5)C4)cc3C2=O)C(=O)N1
InChIInChI=1S/C43H41F3N6O8/c44-43(45,46)34-15-25(24-3-5-30-33-21-47-10-9-35(33)49-36(30)16-24)20-48-40(34)60-28-17-27(18-28)58-14-2-13-57-12-1-11-51-22-29(23-51)59-26-4-6-31-32(19-26)42(56)52(41(31)55)37-7-8-38(53)50-39(37)54/h3-6,9-10,15-16,19-21,27-29,37,49H,1-2,7-8,11-14,17-18,22-23H2,(H,50,53,54)
InChIKeyPRODWFFGBOKDFC-UHFFFAOYSA-N
XLogP5.68
TPSA165.28 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500826.83
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2-(2,6-dioxopiperidin-3-yl)-5-[1-[3-[3-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxypropoxy]propyl]azetidin-3-yl]oxyisoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[1-[3-[3-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxypropoxy]propyl]azetidin-3-yl]oxyisoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[1-[3-[3-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxypropoxy]propyl]azetidin-3-yl]oxyisoindole-1,3-dione (CID 134481676) is 2-(2,6-dioxopiperidin-3-yl)-5-[1-[3-[3-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxypropoxy]propyl]azetidin-3-yl]oxyisoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[1-[3-[3-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxypropoxy]propyl]azetidin-3-yl]oxyisoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[1-[3-[3-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxypropoxy]propyl]azetidin-3-yl]oxyisoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(OC4CN(CCCOCCCOC5CC(Oc6ncc(-c7ccc8c(c7)[nH]c7ccncc78)cc6C(F)(F)F)C5)C4)cc3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[1-[3-[3-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxypropoxy]propyl]azetidin-3-yl]oxyisoindole-1,3-dione?
The InChIKey is PRODWFFGBOKDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H41F3N6O8/c44-43(45,46)34-15-25(24-3-5-30-33-21-47-10-9-35(33)49-36(30)16-24)20-48-40(34)60-28-17-27(18-28)58-14-2-13-57-12-1-11-51-22-29(23-51)59-26-4-6-31-32(19-26)42(56)52(41(31)55)37-7-8-38(53)50-39(37)54/h3-6,9-10,15-16,19-21,27-29,37,49H,1-2,7-8,11-14,17-18,22-23H2,(H,50,53,54).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[1-[3-[3-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxypropoxy]propyl]azetidin-3-yl]oxyisoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-5-[1-[3-[3-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxypropoxy]propyl]azetidin-3-yl]oxyisoindole-1,3-dione has a molecular weight of 826.83 g/mol, XLogP of 5.68, 15 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-5-[1-[3-[3-[3-[[5-(5H-pyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]oxypropoxy]propyl]azetidin-3-yl]oxyisoindole-1,3-dione is sourced from PubChem (CID 134481676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).