2-(2-ethyl-3-oxopiperazin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid

C14H16N4O3 — CID 63602196

IUPAC2-(2-ethyl-3-oxopiperazin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCCC1C(=O)NCCN1c1nc2ccccn2c1C(=O)O
InChIInChI=1S/C14H16N4O3/c1-2-9-13(19)15-6-8-17(9)12-11(14(20)21)18-7-4-3-5-10(18)16-12/h3-5,7,9H,2,6,8H2,1H3,(H,15,19)(H,20,21)
InChIKeyLORREONZWLDZRE-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.75
Rot. Bonds3

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

2-(2-ethyl-3-oxopiperazin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 63602196) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-(2-ethyl-3-oxopiperazin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethyl-3-oxopiperazin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID63602196
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name2-(2-ethyl-3-oxopiperazin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCCC1C(=O)NCCN1c1nc2ccccn2c1C(=O)O
InChIInChI=1S/C14H16N4O3/c1-2-9-13(19)15-6-8-17(9)12-11(14(20)21)18-7-4-3-5-10(18)16-12/h3-5,7,9H,2,6,8H2,1H3,(H,15,19)(H,20,21)
InChIKeyLORREONZWLDZRE-UHFFFAOYSA-N
XLogP0.75
TPSA86.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-3-oxopiperazin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-(2-ethyl-3-oxopiperazin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid (CID 63602196) is 2-(2-ethyl-3-oxopiperazin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-ethyl-3-oxopiperazin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-ethyl-3-oxopiperazin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid is CCC1C(=O)NCCN1c1nc2ccccn2c1C(=O)O.
What is the InChIKey of 2-(2-ethyl-3-oxopiperazin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is LORREONZWLDZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-2-9-13(19)15-6-8-17(9)12-11(14(20)21)18-7-4-3-5-10(18)16-12/h3-5,7,9H,2,6,8H2,1H3,(H,15,19)(H,20,21).
What are the key properties of 2-(2-ethyl-3-oxopiperazin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid?
2-(2-ethyl-3-oxopiperazin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 288.31 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-3-oxopiperazin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 63602196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).