6-(1H-imidazol-2-ylmethyl)pyrrolo[3,4-b]pyridine-5,7-dione

C11H8N4O2 — CID 64531733

IUPAC6-(1H-imidazol-2-ylmethyl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C1c2cccnc2C(=O)N1Cc1ncc[nH]1
InChIInChI=1S/C11H8N4O2/c16-10-7-2-1-3-14-9(7)11(17)15(10)6-8-12-4-5-13-8/h1-5H,6H2,(H,12,13)
InChIKeyJYIBOZPBWUXUEL-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.60
Rot. Bonds2

About 6-(1H-imidazol-2-ylmethyl)pyrrolo[3,4-b]pyridine-5,7-dione

6-(1H-imidazol-2-ylmethyl)pyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 64531733) has the molecular formula C11H8N4O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 6-(1H-imidazol-2-ylmethyl)pyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-(1H-imidazol-2-ylmethyl)pyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID64531733
Molecular FormulaC11H8N4O2
Molecular Weight228.21 g/mol
Exact Mass228.06
IUPAC Name6-(1H-imidazol-2-ylmethyl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C1c2cccnc2C(=O)N1Cc1ncc[nH]1
InChIInChI=1S/C11H8N4O2/c16-10-7-2-1-3-14-9(7)11(17)15(10)6-8-12-4-5-13-8/h1-5H,6H2,(H,12,13)
InChIKeyJYIBOZPBWUXUEL-UHFFFAOYSA-N
XLogP0.60
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-imidazol-2-ylmethyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-(1H-imidazol-2-ylmethyl)pyrrolo[3,4-b]pyridine-5,7-dione (CID 64531733) is 6-(1H-imidazol-2-ylmethyl)pyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-(1H-imidazol-2-ylmethyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-(1H-imidazol-2-ylmethyl)pyrrolo[3,4-b]pyridine-5,7-dione is O=C1c2cccnc2C(=O)N1Cc1ncc[nH]1.
What is the InChIKey of 6-(1H-imidazol-2-ylmethyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is JYIBOZPBWUXUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2/c16-10-7-2-1-3-14-9(7)11(17)15(10)6-8-12-4-5-13-8/h1-5H,6H2,(H,12,13).
What are the key properties of 6-(1H-imidazol-2-ylmethyl)pyrrolo[3,4-b]pyridine-5,7-dione?
6-(1H-imidazol-2-ylmethyl)pyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 228.21 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-imidazol-2-ylmethyl)pyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 64531733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).