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

C12H12N4O3 — CID 24873166

IUPAC5-methyl-5-[(7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl)methyl]imidazolidine-2,4-dione
SMILESCC1(CN2Cc3cccnc3C2=O)NC(=O)NC1=O
InChIInChI=1S/C12H12N4O3/c1-12(10(18)14-11(19)15-12)6-16-5-7-3-2-4-13-8(7)9(16)17/h2-4H,5-6H2,1H3,(H2,14,15,18,19)
InChIKeyUJIPOPYBPYUDID-UHFFFAOYSA-N
MW260.25 g/mol
LogP-0.36
Rot. Bonds2

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

5-methyl-5-[(7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl)methyl]imidazolidine-2,4-dione (PubChem CID 24873166) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 5-methyl-5-[(7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-5-[(7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl)methyl]imidazolidine-2,4-dione
PubChem CID24873166
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name5-methyl-5-[(7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl)methyl]imidazolidine-2,4-dione
SMILESCC1(CN2Cc3cccnc3C2=O)NC(=O)NC1=O
InChIInChI=1S/C12H12N4O3/c1-12(10(18)14-11(19)15-12)6-16-5-7-3-2-4-13-8(7)9(16)17/h2-4H,5-6H2,1H3,(H2,14,15,18,19)
InChIKeyUJIPOPYBPYUDID-UHFFFAOYSA-N
XLogP-0.36
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-[(7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-5-[(7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl)methyl]imidazolidine-2,4-dione (CID 24873166) is 5-methyl-5-[(7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-5-[(7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-5-[(7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl)methyl]imidazolidine-2,4-dione is CC1(CN2Cc3cccnc3C2=O)NC(=O)NC1=O.
What is the InChIKey of 5-methyl-5-[(7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is UJIPOPYBPYUDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-12(10(18)14-11(19)15-12)6-16-5-7-3-2-4-13-8(7)9(16)17/h2-4H,5-6H2,1H3,(H2,14,15,18,19).
What are the key properties of 5-methyl-5-[(7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl)methyl]imidazolidine-2,4-dione?
5-methyl-5-[(7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 260.25 g/mol, XLogP of -0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-[(7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 24873166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).