2,6-dipyridin-2-ylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

C20H10N4O4 — CID 631117

IUPAC2,6-dipyridin-2-ylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESO=c1c2cc3c(=O)n(-c4ccccn4)c(=O)c3cc2c(=O)n1-c1ccccn1
InChIInChI=1S/C20H10N4O4/c25-17-11-9-13-14(20(28)24(19(13)27)16-6-2-4-8-22-16)10-12(11)18(26)23(17)15-5-1-3-7-21-15/h1-10H
InChIKeyCLOOVFSTYYVWGH-UHFFFAOYSA-N
MW370.32 g/mol
LogP0.68
Rot. Bonds2

About 2,6-dipyridin-2-ylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

2,6-dipyridin-2-ylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (PubChem CID 631117) has the molecular formula C20H10N4O4 and a molecular weight of 370.32 g/mol. Its IUPAC name is 2,6-dipyridin-2-ylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.

Molecular Properties

Compound Name2,6-dipyridin-2-ylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
PubChem CID631117
Molecular FormulaC20H10N4O4
Molecular Weight370.32 g/mol
Exact Mass370.07
IUPAC Name2,6-dipyridin-2-ylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESO=c1c2cc3c(=O)n(-c4ccccn4)c(=O)c3cc2c(=O)n1-c1ccccn1
InChIInChI=1S/C20H10N4O4/c25-17-11-9-13-14(20(28)24(19(13)27)16-6-2-4-8-22-16)10-12(11)18(26)23(17)15-5-1-3-7-21-15/h1-10H
InChIKeyCLOOVFSTYYVWGH-UHFFFAOYSA-N
XLogP0.68
TPSA103.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,6-dipyridin-2-ylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The IUPAC name of 2,6-dipyridin-2-ylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (CID 631117) is 2,6-dipyridin-2-ylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.
What is the SMILES notation for 2,6-dipyridin-2-ylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The canonical SMILES for 2,6-dipyridin-2-ylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is O=c1c2cc3c(=O)n(-c4ccccn4)c(=O)c3cc2c(=O)n1-c1ccccn1.
What is the InChIKey of 2,6-dipyridin-2-ylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The InChIKey is CLOOVFSTYYVWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10N4O4/c25-17-11-9-13-14(20(28)24(19(13)27)16-6-2-4-8-22-16)10-12(11)18(26)23(17)15-5-1-3-7-21-15/h1-10H.
What are the key properties of 2,6-dipyridin-2-ylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
2,6-dipyridin-2-ylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone has a molecular weight of 370.32 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dipyridin-2-ylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is sourced from PubChem (CID 631117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).