4-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]piperazine-2,6-dione

C12H12N4O3 — CID 66085333

IUPAC4-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]piperazine-2,6-dione
SMILESO=C1CN(c2nc3ccccn3c2CO)CC(=O)N1
InChIInChI=1S/C12H12N4O3/c17-7-8-12(13-9-3-1-2-4-16(8)9)15-5-10(18)14-11(19)6-15/h1-4,17H,5-7H2,(H,14,18,19)
InChIKeyFHEUZYYOLVTKTO-UHFFFAOYSA-N
MW260.25 g/mol
LogP-0.71
Rot. Bonds2

About 4-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]piperazine-2,6-dione

4-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]piperazine-2,6-dione (PubChem CID 66085333) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 4-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]piperazine-2,6-dione
PubChem CID66085333
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name4-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]piperazine-2,6-dione
SMILESO=C1CN(c2nc3ccccn3c2CO)CC(=O)N1
InChIInChI=1S/C12H12N4O3/c17-7-8-12(13-9-3-1-2-4-16(8)9)15-5-10(18)14-11(19)6-15/h1-4,17H,5-7H2,(H,14,18,19)
InChIKeyFHEUZYYOLVTKTO-UHFFFAOYSA-N
XLogP-0.71
TPSA86.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 5-0.71
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 4-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]piperazine-2,6-dione?
The IUPAC name of 4-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]piperazine-2,6-dione (CID 66085333) is 4-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]piperazine-2,6-dione.
What is the SMILES notation for 4-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]piperazine-2,6-dione?
The canonical SMILES for 4-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]piperazine-2,6-dione is O=C1CN(c2nc3ccccn3c2CO)CC(=O)N1.
What is the InChIKey of 4-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]piperazine-2,6-dione?
The InChIKey is FHEUZYYOLVTKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c17-7-8-12(13-9-3-1-2-4-16(8)9)15-5-10(18)14-11(19)6-15/h1-4,17H,5-7H2,(H,14,18,19).
What are the key properties of 4-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]piperazine-2,6-dione?
4-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]piperazine-2,6-dione has a molecular weight of 260.25 g/mol, XLogP of -0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]piperazine-2,6-dione is sourced from PubChem (CID 66085333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).