2-(3,5-dioxopiperazin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid

C12H10N4O4 — CID 66083555

IUPAC2-(3,5-dioxopiperazin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C1CN(c2nc3ccccn3c2C(=O)O)CC(=O)N1
InChIInChI=1S/C12H10N4O4/c17-8-5-15(6-9(18)14-8)11-10(12(19)20)16-4-2-1-3-7(16)13-11/h1-4H,5-6H2,(H,19,20)(H,14,17,18)
InChIKeyJVJLFNIKPGEQKM-UHFFFAOYSA-N
MW274.24 g/mol
LogP-0.50
Rot. Bonds2

About 2-(3,5-dioxopiperazin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid

2-(3,5-dioxopiperazin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 66083555) has the molecular formula C12H10N4O4 and a molecular weight of 274.24 g/mol. Its IUPAC name is 2-(3,5-dioxopiperazin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3,5-dioxopiperazin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID66083555
Molecular FormulaC12H10N4O4
Molecular Weight274.24 g/mol
Exact Mass274.07
IUPAC Name2-(3,5-dioxopiperazin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C1CN(c2nc3ccccn3c2C(=O)O)CC(=O)N1
InChIInChI=1S/C12H10N4O4/c17-8-5-15(6-9(18)14-8)11-10(12(19)20)16-4-2-1-3-7(16)13-11/h1-4H,5-6H2,(H,19,20)(H,14,17,18)
InChIKeyJVJLFNIKPGEQKM-UHFFFAOYSA-N
XLogP-0.50
TPSA104.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dioxopiperazin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-(3,5-dioxopiperazin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid (CID 66083555) is 2-(3,5-dioxopiperazin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3,5-dioxopiperazin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(3,5-dioxopiperazin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid is O=C1CN(c2nc3ccccn3c2C(=O)O)CC(=O)N1.
What is the InChIKey of 2-(3,5-dioxopiperazin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is JVJLFNIKPGEQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O4/c17-8-5-15(6-9(18)14-8)11-10(12(19)20)16-4-2-1-3-7(16)13-11/h1-4H,5-6H2,(H,19,20)(H,14,17,18).
What are the key properties of 2-(3,5-dioxopiperazin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid?
2-(3,5-dioxopiperazin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 274.24 g/mol, XLogP of -0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dioxopiperazin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 66083555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).