2-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid

C13H15N3O2 — CID 117129579

IUPAC2-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCN1CCCC1c1cn2cc(C(=O)O)ccc2n1
InChIInChI=1S/C13H15N3O2/c1-15-6-2-3-11(15)10-8-16-7-9(13(17)18)4-5-12(16)14-10/h4-5,7-8,11H,2-3,6H2,1H3,(H,17,18)
InChIKeyWEZNPRZWRQIBOD-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.80
Rot. Bonds2

About 2-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid

2-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid (PubChem CID 117129579) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid
PubChem CID117129579
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCN1CCCC1c1cn2cc(C(=O)O)ccc2n1
InChIInChI=1S/C13H15N3O2/c1-15-6-2-3-11(15)10-8-16-7-9(13(17)18)4-5-12(16)14-10/h4-5,7-8,11H,2-3,6H2,1H3,(H,17,18)
InChIKeyWEZNPRZWRQIBOD-UHFFFAOYSA-N
XLogP1.80
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid?
The IUPAC name of 2-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid (CID 117129579) is 2-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid?
The canonical SMILES for 2-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid is CN1CCCC1c1cn2cc(C(=O)O)ccc2n1.
What is the InChIKey of 2-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid?
The InChIKey is WEZNPRZWRQIBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-15-6-2-3-11(15)10-8-16-7-9(13(17)18)4-5-12(16)14-10/h4-5,7-8,11H,2-3,6H2,1H3,(H,17,18).
What are the key properties of 2-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid?
2-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 117129579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).