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

C12H14N2O3 — CID 66106725

IUPAC6-(4-hydroxy-2-methylbutyl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESCC(CCO)CN1C(=O)c2cccnc2C1=O
InChIInChI=1S/C12H14N2O3/c1-8(4-6-15)7-14-11(16)9-3-2-5-13-10(9)12(14)17/h2-3,5,8,15H,4,6-7H2,1H3
InChIKeyGXKQYAPIKZEABO-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.70
Rot. Bonds4

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

6-(4-hydroxy-2-methylbutyl)pyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 66106725) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 6-(4-hydroxy-2-methylbutyl)pyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-(4-hydroxy-2-methylbutyl)pyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID66106725
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name6-(4-hydroxy-2-methylbutyl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESCC(CCO)CN1C(=O)c2cccnc2C1=O
InChIInChI=1S/C12H14N2O3/c1-8(4-6-15)7-14-11(16)9-3-2-5-13-10(9)12(14)17/h2-3,5,8,15H,4,6-7H2,1H3
InChIKeyGXKQYAPIKZEABO-UHFFFAOYSA-N
XLogP0.70
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(4-hydroxy-2-methylbutyl)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-(hydroxymethyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 2133484
6-(3-hydroxypropyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 61206961
4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-2-methylbutanoic acid
CID 80540196
5-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-2-methylpentanoic acid
CID 104683031
5-(1,3-dioxoisoindol-2-yl)-4-methyl-N-pyridin-2-ylpentanamide
CID 91114387
6-[2-(2-hydroxyethoxy)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 62498637
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(2-methylpropyl)propanamide
CID 71946746
N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]acetamide
CID 113082105
ethyl 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetate
CID 15744738
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(1-phenylethyl)propanamide
CID 113202514
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 113202585
6-pent-4-ynylpyrrolo[3,4-b]pyridine-5,7-dione
CID 106220357

Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxy-2-methylbutyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-(4-hydroxy-2-methylbutyl)pyrrolo[3,4-b]pyridine-5,7-dione (CID 66106725) is 6-(4-hydroxy-2-methylbutyl)pyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-(4-hydroxy-2-methylbutyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-(4-hydroxy-2-methylbutyl)pyrrolo[3,4-b]pyridine-5,7-dione is CC(CCO)CN1C(=O)c2cccnc2C1=O.
What is the InChIKey of 6-(4-hydroxy-2-methylbutyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is GXKQYAPIKZEABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-8(4-6-15)7-14-11(16)9-3-2-5-13-10(9)12(14)17/h2-3,5,8,15H,4,6-7H2,1H3.
What are the key properties of 6-(4-hydroxy-2-methylbutyl)pyrrolo[3,4-b]pyridine-5,7-dione?
6-(4-hydroxy-2-methylbutyl)pyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 234.25 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxy-2-methylbutyl)pyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 66106725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).