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

C26H14N4O5 — CID 1113231

IUPAC5-(1,3-dioxo-2-pyridin-2-ylisoindol-5-yl)oxy-2-pyridin-2-ylisoindole-1,3-dione
SMILESO=C1c2ccc(Oc3ccc4c(c3)C(=O)N(c3ccccn3)C4=O)cc2C(=O)N1c1ccccn1
InChIInChI=1S/C26H14N4O5/c31-23-17-9-7-15(13-19(17)25(33)29(23)21-5-1-3-11-27-21)35-16-8-10-18-20(14-16)26(34)30(24(18)32)22-6-2-4-12-28-22/h1-14H
InChIKeyBCDUCMFWITYRHB-UHFFFAOYSA-N
MW462.42 g/mol
LogP3.87
Rot. Bonds4

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

5-(1,3-dioxo-2-pyridin-2-ylisoindol-5-yl)oxy-2-pyridin-2-ylisoindole-1,3-dione (PubChem CID 1113231) has the molecular formula C26H14N4O5 and a molecular weight of 462.42 g/mol. Its IUPAC name is 5-(1,3-dioxo-2-pyridin-2-ylisoindol-5-yl)oxy-2-pyridin-2-ylisoindole-1,3-dione.

Molecular Properties

Compound Name5-(1,3-dioxo-2-pyridin-2-ylisoindol-5-yl)oxy-2-pyridin-2-ylisoindole-1,3-dione
PubChem CID1113231
Molecular FormulaC26H14N4O5
Molecular Weight462.42 g/mol
Exact Mass462.10
IUPAC Name5-(1,3-dioxo-2-pyridin-2-ylisoindol-5-yl)oxy-2-pyridin-2-ylisoindole-1,3-dione
SMILESO=C1c2ccc(Oc3ccc4c(c3)C(=O)N(c3ccccn3)C4=O)cc2C(=O)N1c1ccccn1
InChIInChI=1S/C26H14N4O5/c31-23-17-9-7-15(13-19(17)25(33)29(23)21-5-1-3-11-27-21)35-16-8-10-18-20(14-16)26(34)30(24(18)32)22-6-2-4-12-28-22/h1-14H
InChIKeyBCDUCMFWITYRHB-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'}

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

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Related Compounds

(R)-5-(4-(2-aminopyridin-4-yl)phenyl)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)imidazolidine-2,4-dione
CID 49865046
(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-morpholin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione
CID 58041829
(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-oxopiperidin-1-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione
CID 58042057
8-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 58042137
(5R)-5-[2-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 58042143
(5R)-5-[2-[5-(6-amino-3-pyridinyl)-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 68042945
5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione
CID 68042984
(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(6-piperidin-1-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione
CID 68043028
5-[2-[2-[2-(dimethylamino)ethylamino]-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 68043121
5-(3-Nitrophenoxy)-2-pyridin-2-ylisoindole-1,3-dione
CID 1381051
[2-(4-Cyanophenyl)-1,3-dioxoisoindol-5-yl] 3-(6-amino-3-pyridinyl)propanoate
CID 46913319
2-Methylisoindole-1,3-dione-5-yl 3-(6-aminopyridin-3-yl)propionate
CID 49798824

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dioxo-2-pyridin-2-ylisoindol-5-yl)oxy-2-pyridin-2-ylisoindole-1,3-dione?
The IUPAC name of 5-(1,3-dioxo-2-pyridin-2-ylisoindol-5-yl)oxy-2-pyridin-2-ylisoindole-1,3-dione (CID 1113231) is 5-(1,3-dioxo-2-pyridin-2-ylisoindol-5-yl)oxy-2-pyridin-2-ylisoindole-1,3-dione.
What is the SMILES notation for 5-(1,3-dioxo-2-pyridin-2-ylisoindol-5-yl)oxy-2-pyridin-2-ylisoindole-1,3-dione?
The canonical SMILES for 5-(1,3-dioxo-2-pyridin-2-ylisoindol-5-yl)oxy-2-pyridin-2-ylisoindole-1,3-dione is O=C1c2ccc(Oc3ccc4c(c3)C(=O)N(c3ccccn3)C4=O)cc2C(=O)N1c1ccccn1.
What is the InChIKey of 5-(1,3-dioxo-2-pyridin-2-ylisoindol-5-yl)oxy-2-pyridin-2-ylisoindole-1,3-dione?
The InChIKey is BCDUCMFWITYRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14N4O5/c31-23-17-9-7-15(13-19(17)25(33)29(23)21-5-1-3-11-27-21)35-16-8-10-18-20(14-16)26(34)30(24(18)32)22-6-2-4-12-28-22/h1-14H.
What are the key properties of 5-(1,3-dioxo-2-pyridin-2-ylisoindol-5-yl)oxy-2-pyridin-2-ylisoindole-1,3-dione?
5-(1,3-dioxo-2-pyridin-2-ylisoindol-5-yl)oxy-2-pyridin-2-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-2-ylisoindol-5-yl)oxy-2-pyridin-2-ylisoindole-1,3-dione is sourced from PubChem (CID 1113231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).