5-(1,3-dioxo-2-pyridin-3-ylisoindol-5-yl)oxy-2-pyridin-3-ylisoindole-1,3-dione

C26H14N4O5 — CID 1363941

IUPAC5-(1,3-dioxo-2-pyridin-3-ylisoindol-5-yl)oxy-2-pyridin-3-ylisoindole-1,3-dione
SMILESO=C1c2ccc(Oc3ccc4c(c3)C(=O)N(c3cccnc3)C4=O)cc2C(=O)N1c1cccnc1
InChIInChI=1S/C26H14N4O5/c31-23-19-7-5-17(11-21(19)25(33)29(23)15-3-1-9-27-13-15)35-18-6-8-20-22(12-18)26(34)30(24(20)32)16-4-2-10-28-14-16/h1-14H
InChIKeyOQPULFBJFPBSNW-UHFFFAOYSA-N
MW462.42 g/mol
LogP3.87
Rot. Bonds4

About 5-(1,3-dioxo-2-pyridin-3-ylisoindol-5-yl)oxy-2-pyridin-3-ylisoindole-1,3-dione

5-(1,3-dioxo-2-pyridin-3-ylisoindol-5-yl)oxy-2-pyridin-3-ylisoindole-1,3-dione (PubChem CID 1363941) has the molecular formula C26H14N4O5 and a molecular weight of 462.42 g/mol. Its IUPAC name is 5-(1,3-dioxo-2-pyridin-3-ylisoindol-5-yl)oxy-2-pyridin-3-ylisoindole-1,3-dione.

Molecular Properties

Compound Name5-(1,3-dioxo-2-pyridin-3-ylisoindol-5-yl)oxy-2-pyridin-3-ylisoindole-1,3-dione
PubChem CID1363941
Molecular FormulaC26H14N4O5
Molecular Weight462.42 g/mol
Exact Mass462.10
IUPAC Name5-(1,3-dioxo-2-pyridin-3-ylisoindol-5-yl)oxy-2-pyridin-3-ylisoindole-1,3-dione
SMILESO=C1c2ccc(Oc3ccc4c(c3)C(=O)N(c3cccnc3)C4=O)cc2C(=O)N1c1cccnc1
InChIInChI=1S/C26H14N4O5/c31-23-19-7-5-17(11-21(19)25(33)29(23)15-3-1-9-27-13-15)35-18-6-8-20-22(12-18)26(34)30(24(20)32)16-4-2-10-28-14-16/h1-14H
InChIKeyOQPULFBJFPBSNW-UHFFFAOYSA-N
XLogP3.87
TPSA109.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.42
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dioxo-2-pyridin-3-ylisoindol-5-yl)oxy-2-pyridin-3-ylisoindole-1,3-dione?
The IUPAC name of 5-(1,3-dioxo-2-pyridin-3-ylisoindol-5-yl)oxy-2-pyridin-3-ylisoindole-1,3-dione (CID 1363941) is 5-(1,3-dioxo-2-pyridin-3-ylisoindol-5-yl)oxy-2-pyridin-3-ylisoindole-1,3-dione.
What is the SMILES notation for 5-(1,3-dioxo-2-pyridin-3-ylisoindol-5-yl)oxy-2-pyridin-3-ylisoindole-1,3-dione?
The canonical SMILES for 5-(1,3-dioxo-2-pyridin-3-ylisoindol-5-yl)oxy-2-pyridin-3-ylisoindole-1,3-dione is O=C1c2ccc(Oc3ccc4c(c3)C(=O)N(c3cccnc3)C4=O)cc2C(=O)N1c1cccnc1.
What is the InChIKey of 5-(1,3-dioxo-2-pyridin-3-ylisoindol-5-yl)oxy-2-pyridin-3-ylisoindole-1,3-dione?
The InChIKey is OQPULFBJFPBSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14N4O5/c31-23-19-7-5-17(11-21(19)25(33)29(23)15-3-1-9-27-13-15)35-18-6-8-20-22(12-18)26(34)30(24(20)32)16-4-2-10-28-14-16/h1-14H.
What are the key properties of 5-(1,3-dioxo-2-pyridin-3-ylisoindol-5-yl)oxy-2-pyridin-3-ylisoindole-1,3-dione?
5-(1,3-dioxo-2-pyridin-3-ylisoindol-5-yl)oxy-2-pyridin-3-ylisoindole-1,3-dione has a molecular weight of 462.42 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dioxo-2-pyridin-3-ylisoindol-5-yl)oxy-2-pyridin-3-ylisoindole-1,3-dione is sourced from PubChem (CID 1363941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).