3-(3-methyl-5-oxo-7H-pyrrolo[3,4-b]pyrazin-6-yl)piperidine-2,6-dione

C12H12N4O3 — CID 155219572

IUPAC3-(3-methyl-5-oxo-7H-pyrrolo[3,4-b]pyrazin-6-yl)piperidine-2,6-dione
SMILESCc1cnc2c(n1)C(=O)N(C1CCC(=O)NC1=O)C2
InChIInChI=1S/C12H12N4O3/c1-6-4-13-7-5-16(12(19)10(7)14-6)8-2-3-9(17)15-11(8)18/h4,8H,2-3,5H2,1H3,(H,15,17,18)
InChIKeyZUYOAFPGUGMMLK-UHFFFAOYSA-N
MW260.25 g/mol
LogP-0.45
Rot. Bonds1

About 3-(3-methyl-5-oxo-7H-pyrrolo[3,4-b]pyrazin-6-yl)piperidine-2,6-dione

3-(3-methyl-5-oxo-7H-pyrrolo[3,4-b]pyrazin-6-yl)piperidine-2,6-dione (PubChem CID 155219572) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 3-(3-methyl-5-oxo-7H-pyrrolo[3,4-b]pyrazin-6-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(3-methyl-5-oxo-7H-pyrrolo[3,4-b]pyrazin-6-yl)piperidine-2,6-dione
PubChem CID155219572
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name3-(3-methyl-5-oxo-7H-pyrrolo[3,4-b]pyrazin-6-yl)piperidine-2,6-dione
SMILESCc1cnc2c(n1)C(=O)N(C1CCC(=O)NC1=O)C2
InChIInChI=1S/C12H12N4O3/c1-6-4-13-7-5-16(12(19)10(7)14-6)8-2-3-9(17)15-11(8)18/h4,8H,2-3,5H2,1H3,(H,15,17,18)
InChIKeyZUYOAFPGUGMMLK-UHFFFAOYSA-N
XLogP-0.45
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(3-methyl-5-oxo-7H-pyrrolo[3,4-b]pyrazin-6-yl)piperidine-2,6-dione with MolForge

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Related Compounds

3-(7-oxo-3-piperidin-4-yl-5H-pyrrolo[3,4-b]pyridin-6-yl)piperidine-2,6-dione;hydrochloride
CID 155923300
2-(2,6-dioxopiperidin-3-yl)-6-methylpyrrolo[3,4-c]pyridine-1,3-dione;ethane
CID 164919630
3-(3-methyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)piperidine-2,6-dione
CID 156817498
6-(2,6-dioxopiperidin-3-yl)-3-propan-2-ylpyrrolo[3,4-b]pyrazine-5,7-dione
CID 164919735
ethane;3-(5-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155599247
methylazanium;3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155746155
3-[4-methyl-5-oxo-3-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]piperidine-2,6-dione
CID 155296764
3-[6-(6-amino-3-methyl-2-pyridinyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170077033
3-[6-[1-methyl-5-(4-methylphenyl)pyrazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075676
3-(7-cyclopropyl-4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167342547
3-(2-methyl-4H-quinazolin-3-yl)piperidine-2,6-dione
CID 69335531
3-[2-(8-aminooctyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione
CID 149152954

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-5-oxo-7H-pyrrolo[3,4-b]pyrazin-6-yl)piperidine-2,6-dione?
The IUPAC name of 3-(3-methyl-5-oxo-7H-pyrrolo[3,4-b]pyrazin-6-yl)piperidine-2,6-dione (CID 155219572) is 3-(3-methyl-5-oxo-7H-pyrrolo[3,4-b]pyrazin-6-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(3-methyl-5-oxo-7H-pyrrolo[3,4-b]pyrazin-6-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(3-methyl-5-oxo-7H-pyrrolo[3,4-b]pyrazin-6-yl)piperidine-2,6-dione is Cc1cnc2c(n1)C(=O)N(C1CCC(=O)NC1=O)C2.
What is the InChIKey of 3-(3-methyl-5-oxo-7H-pyrrolo[3,4-b]pyrazin-6-yl)piperidine-2,6-dione?
The InChIKey is ZUYOAFPGUGMMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-6-4-13-7-5-16(12(19)10(7)14-6)8-2-3-9(17)15-11(8)18/h4,8H,2-3,5H2,1H3,(H,15,17,18).
What are the key properties of 3-(3-methyl-5-oxo-7H-pyrrolo[3,4-b]pyrazin-6-yl)piperidine-2,6-dione?
3-(3-methyl-5-oxo-7H-pyrrolo[3,4-b]pyrazin-6-yl)piperidine-2,6-dione has a molecular weight of 260.25 g/mol, XLogP of -0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-5-oxo-7H-pyrrolo[3,4-b]pyrazin-6-yl)piperidine-2,6-dione is sourced from PubChem (CID 155219572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).