2-(2,6-dioxopiperidin-3-yl)-5-[3-[3-[3-[4-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propoxy]propoxy]azetidin-1-yl]isoindole-1,3-dione

C45H46F3N7O7 — CID 134481427

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-[3-[3-[3-[4-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propoxy]propoxy]azetidin-1-yl]isoindole-1,3-dione
SMILESCn1c2ccncc2c2ccc(-c3cnc(OC4CCN(CCCOCCCOC5CN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)CC4)c(C(F)(F)F)c3)cc21
InChIInChI=1S/C45H46F3N7O7/c1-52-37-10-13-49-24-35(37)32-6-4-27(21-39(32)52)28-20-36(45(46,47)48)42(50-23-28)62-30-11-15-53(16-12-30)14-2-17-60-18-3-19-61-31-25-54(26-31)29-5-7-33-34(22-29)44(59)55(43(33)58)38-8-9-40(56)51-41(38)57/h4-7,10,13,20-24,30-31,38H,2-3,8-9,11-12,14-19,25-26H2,1H3,(H,51,56,57)
InChIKeyFFJPDGPTAWZBRN-UHFFFAOYSA-N
MW853.90 g/mol
LogP5.75
Rot. Bonds14

About 2-(2,6-dioxopiperidin-3-yl)-5-[3-[3-[3-[4-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propoxy]propoxy]azetidin-1-yl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[3-[3-[3-[4-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propoxy]propoxy]azetidin-1-yl]isoindole-1,3-dione (PubChem CID 134481427) has the molecular formula C45H46F3N7O7 and a molecular weight of 853.90 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[3-[3-[3-[4-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propoxy]propoxy]azetidin-1-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-[3-[3-[3-[4-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propoxy]propoxy]azetidin-1-yl]isoindole-1,3-dione
PubChem CID134481427
Molecular FormulaC45H46F3N7O7
Molecular Weight853.90 g/mol
Exact Mass853.34
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-[3-[3-[3-[4-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propoxy]propoxy]azetidin-1-yl]isoindole-1,3-dione
SMILESCn1c2ccncc2c2ccc(-c3cnc(OC4CCN(CCCOCCCOC5CN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)CC4)c(C(F)(F)F)c3)cc21
InChIInChI=1S/C45H46F3N7O7/c1-52-37-10-13-49-24-35(37)32-6-4-27(21-39(32)52)28-20-36(45(46,47)48)42(50-23-28)62-30-11-15-53(16-12-30)14-2-17-60-18-3-19-61-31-25-54(26-31)29-5-7-33-34(22-29)44(59)55(43(33)58)38-8-9-40(56)51-41(38)57/h4-7,10,13,20-24,30-31,38H,2-3,8-9,11-12,14-19,25-26H2,1H3,(H,51,56,57)
InChIKeyFFJPDGPTAWZBRN-UHFFFAOYSA-N
XLogP5.75
TPSA148.43 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500853.90
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

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'}

Analyze 2-(2,6-dioxopiperidin-3-yl)-5-[3-[3-[3-[4-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propoxy]propoxy]azetidin-1-yl]isoindole-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-[3-[3-[3-[4-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propoxy]propoxy]azetidin-1-yl]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[3-[3-[3-[4-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propoxy]propoxy]azetidin-1-yl]isoindole-1,3-dione (CID 134481427) is 2-(2,6-dioxopiperidin-3-yl)-5-[3-[3-[3-[4-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propoxy]propoxy]azetidin-1-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[3-[3-[3-[4-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propoxy]propoxy]azetidin-1-yl]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[3-[3-[3-[4-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propoxy]propoxy]azetidin-1-yl]isoindole-1,3-dione is Cn1c2ccncc2c2ccc(-c3cnc(OC4CCN(CCCOCCCOC5CN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)CC4)c(C(F)(F)F)c3)cc21.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[3-[3-[3-[4-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propoxy]propoxy]azetidin-1-yl]isoindole-1,3-dione?
The InChIKey is FFJPDGPTAWZBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H46F3N7O7/c1-52-37-10-13-49-24-35(37)32-6-4-27(21-39(32)52)28-20-36(45(46,47)48)42(50-23-28)62-30-11-15-53(16-12-30)14-2-17-60-18-3-19-61-31-25-54(26-31)29-5-7-33-34(22-29)44(59)55(43(33)58)38-8-9-40(56)51-41(38)57/h4-7,10,13,20-24,30-31,38H,2-3,8-9,11-12,14-19,25-26H2,1H3,(H,51,56,57).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[3-[3-[3-[4-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propoxy]propoxy]azetidin-1-yl]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-5-[3-[3-[3-[4-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propoxy]propoxy]azetidin-1-yl]isoindole-1,3-dione has a molecular weight of 853.90 g/mol, XLogP of 5.75, 14 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-5-[3-[3-[3-[4-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propoxy]propoxy]azetidin-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 134481427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).