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

C35H32N6O7 — CID 134481329

IUPAC2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(NCCOCCOCCOc4ccc(-c5ccc6c(c5)[nH]c5ccncc56)cn4)c3C2=O)C(=O)N1
InChIInChI=1S/C35H32N6O7/c42-30-8-7-29(33(43)40-30)41-34(44)24-2-1-3-27(32(24)35(41)45)37-12-13-46-14-15-47-16-17-48-31-9-5-22(19-38-31)21-4-6-23-25-20-36-11-10-26(25)39-28(23)18-21/h1-6,9-11,18-20,29,37,39H,7-8,12-17H2,(H,40,42,43)
InChIKeyNREONVGYYJVMFO-UHFFFAOYSA-N
MW648.68 g/mol
LogP3.70
Rot. Bonds13

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

2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione (PubChem CID 134481329) has the molecular formula C35H32N6O7 and a molecular weight of 648.68 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione
PubChem CID134481329
Molecular FormulaC35H32N6O7
Molecular Weight648.68 g/mol
Exact Mass648.23
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(NCCOCCOCCOc4ccc(-c5ccc6c(c5)[nH]c5ccncc56)cn4)c3C2=O)C(=O)N1
InChIInChI=1S/C35H32N6O7/c42-30-8-7-29(33(43)40-30)41-34(44)24-2-1-3-27(32(24)35(41)45)37-12-13-46-14-15-47-16-17-48-31-9-5-22(19-38-31)21-4-6-23-25-20-36-11-10-26(25)39-28(23)18-21/h1-6,9-11,18-20,29,37,39H,7-8,12-17H2,(H,40,42,43)
InChIKeyNREONVGYYJVMFO-UHFFFAOYSA-N
XLogP3.70
TPSA164.84 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500648.68
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'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)-4-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione (CID 134481329) is 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3cccc(NCCOCCOCCOc4ccc(-c5ccc6c(c5)[nH]c5ccncc56)cn4)c3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione?
The InChIKey is NREONVGYYJVMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32N6O7/c42-30-8-7-29(33(43)40-30)41-34(44)24-2-1-3-27(32(24)35(41)45)37-12-13-46-14-15-47-16-17-48-31-9-5-22(19-38-31)21-4-6-23-25-20-36-11-10-26(25)39-28(23)18-21/h1-6,9-11,18-20,29,37,39H,7-8,12-17H2,(H,40,42,43).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione has a molecular weight of 648.68 g/mol, XLogP of 3.70, 13 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione is sourced from PubChem (CID 134481329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).