2-[(2-methyloxolan-3-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid

C13H15N3O3 — CID 82728706

IUPAC2-[(2-methyloxolan-3-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCC1OCCC1Nc1nc2ccccn2c1C(=O)O
InChIInChI=1S/C13H15N3O3/c1-8-9(5-7-19-8)14-12-11(13(17)18)16-6-3-2-4-10(16)15-12/h2-4,6,8-9,14H,5,7H2,1H3,(H,17,18)
InChIKeyROOMLWPRQPUQQJ-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.62
Rot. Bonds3

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

2-[(2-methyloxolan-3-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 82728706) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[(2-methyloxolan-3-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methyloxolan-3-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID82728706
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name2-[(2-methyloxolan-3-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCC1OCCC1Nc1nc2ccccn2c1C(=O)O
InChIInChI=1S/C13H15N3O3/c1-8-9(5-7-19-8)14-12-11(13(17)18)16-6-3-2-4-10(16)15-12/h2-4,6,8-9,14H,5,7H2,1H3,(H,17,18)
InChIKeyROOMLWPRQPUQQJ-UHFFFAOYSA-N
XLogP1.62
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyloxolan-3-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(2-methyloxolan-3-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid (CID 82728706) is 2-[(2-methyloxolan-3-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(2-methyloxolan-3-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(2-methyloxolan-3-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid is CC1OCCC1Nc1nc2ccccn2c1C(=O)O.
What is the InChIKey of 2-[(2-methyloxolan-3-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is ROOMLWPRQPUQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-8-9(5-7-19-8)14-12-11(13(17)18)16-6-3-2-4-10(16)15-12/h2-4,6,8-9,14H,5,7H2,1H3,(H,17,18).
What are the key properties of 2-[(2-methyloxolan-3-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid?
2-[(2-methyloxolan-3-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyloxolan-3-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 82728706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).