6-(2,5-dimethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione

C15H12N2O4 — CID 888493

IUPAC6-(2,5-dimethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESCOc1ccc(OC)c(N2C(=O)c3cccnc3C2=O)c1
InChIInChI=1S/C15H12N2O4/c1-20-9-5-6-12(21-2)11(8-9)17-14(18)10-4-3-7-16-13(10)15(17)19/h3-8H,1-2H3
InChIKeyWMBVFAQNAGYDTF-UHFFFAOYSA-N
MW284.27 g/mol
LogP1.90
Rot. Bonds3

About 6-(2,5-dimethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione

6-(2,5-dimethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 888493) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 6-(2,5-dimethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-(2,5-dimethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID888493
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name6-(2,5-dimethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESCOc1ccc(OC)c(N2C(=O)c3cccnc3C2=O)c1
InChIInChI=1S/C15H12N2O4/c1-20-9-5-6-12(21-2)11(8-9)17-14(18)10-4-3-7-16-13(10)15(17)19/h3-8H,1-2H3
InChIKeyWMBVFAQNAGYDTF-UHFFFAOYSA-N
XLogP1.90
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(2,5-dimethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)-6H-pyrrolo[3,4-b]pyridine-5,7-dione
CID 44431192
6-(2-methoxyphenyl)-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
CID 699158
6-(5-Chloro-2-methoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 2732655
6-(4-methoxyphenyl)-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
CID 682662
N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 532822
N-(2,5-dimethoxyphenyl)-2-(3-formyl-1H-indol-1-yl)acetamide
CID 2229582
6-(2,5-dimethoxyphenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 665200
2-(3-methoxyphenyl)-1H-pyrrolo[3,4-c]pyridine-1,3(2H)-dione
CID 1263476
6-(4-ethoxyphenyl)-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
CID 3237849
N-(2,5-diethoxyphenyl)-4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)butanamide
CID 3242130
7-hydroxy-6-(3-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
CID 20866889
N-(2,5-dimethoxyphenyl)-2-{3-[(2-fluorophenyl)carbonyl]-1H-indol-1-yl}acetamide
CID 4019358

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-(2,5-dimethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione (CID 888493) is 6-(2,5-dimethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-(2,5-dimethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-(2,5-dimethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione is COc1ccc(OC)c(N2C(=O)c3cccnc3C2=O)c1.
What is the InChIKey of 6-(2,5-dimethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is WMBVFAQNAGYDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c1-20-9-5-6-12(21-2)11(8-9)17-14(18)10-4-3-7-16-13(10)15(17)19/h3-8H,1-2H3.
What are the key properties of 6-(2,5-dimethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
6-(2,5-dimethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 284.27 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 888493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).