6-(3-benzoylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione

C20H12N2O3 — CID 714778

IUPAC6-(3-benzoylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C(c1ccccc1)c1cccc(N2C(=O)c3cccnc3C2=O)c1
InChIInChI=1S/C20H12N2O3/c23-18(13-6-2-1-3-7-13)14-8-4-9-15(12-14)22-19(24)16-10-5-11-21-17(16)20(22)25/h1-12H
InChIKeyGMYXRKJKKYGUTD-UHFFFAOYSA-N
MW328.33 g/mol
LogP3.11
Rot. Bonds3

About 6-(3-benzoylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione

6-(3-benzoylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 714778) has the molecular formula C20H12N2O3 and a molecular weight of 328.33 g/mol. Its IUPAC name is 6-(3-benzoylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-(3-benzoylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID714778
Molecular FormulaC20H12N2O3
Molecular Weight328.33 g/mol
Exact Mass328.08
IUPAC Name6-(3-benzoylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C(c1ccccc1)c1cccc(N2C(=O)c3cccnc3C2=O)c1
InChIInChI=1S/C20H12N2O3/c23-18(13-6-2-1-3-7-13)14-8-4-9-15(12-14)22-19(24)16-10-5-11-21-17(16)20(22)25/h1-12H
InChIKeyGMYXRKJKKYGUTD-UHFFFAOYSA-N
XLogP3.11
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6,13-bis(3-benzoylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 3095737
N-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-phenylacetamide
CID 113082993
6-(3-acetylphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione
CID 17255818
5-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-2-fluorobenzoic acid
CID 60998976
5-benzoyl-2-(3-hydroxyphenyl)isoindole-1,3-dione
CID 761887
N-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-methylpropanamide
CID 113082971
methyl 2-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenoxy]acetate
CID 9324089
6-(3-fluoro-4-hydroxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 64782032
6-(2-acetylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 79671598
N-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-(2-fluorophenyl)acetamide
CID 113083009
tert-butyl N-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]carbamate
CID 113083018
4-chloro-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)benzoic acid
CID 60998970

Frequently Asked Questions

What is the IUPAC name of 6-(3-benzoylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-(3-benzoylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione (CID 714778) is 6-(3-benzoylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-(3-benzoylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-(3-benzoylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione is O=C(c1ccccc1)c1cccc(N2C(=O)c3cccnc3C2=O)c1.
What is the InChIKey of 6-(3-benzoylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is GMYXRKJKKYGUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N2O3/c23-18(13-6-2-1-3-7-13)14-8-4-9-15(12-14)22-19(24)16-10-5-11-21-17(16)20(22)25/h1-12H.
What are the key properties of 6-(3-benzoylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
6-(3-benzoylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 328.33 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-benzoylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 714778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).