2-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid

C13H19N3O2 — CID 117153245

IUPAC2-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCN1CCC(c2cn3c(n2)CCC(C(=O)O)C3)C1
InChIInChI=1S/C13H19N3O2/c1-15-5-4-9(6-15)11-8-16-7-10(13(17)18)2-3-12(16)14-11/h8-10H,2-7H2,1H3,(H,17,18)
InChIKeyRZDJQDFCITWUQK-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.95
Rot. Bonds2

About 2-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid

2-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid (PubChem CID 117153245) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid
PubChem CID117153245
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCN1CCC(c2cn3c(n2)CCC(C(=O)O)C3)C1
InChIInChI=1S/C13H19N3O2/c1-15-5-4-9(6-15)11-8-16-7-10(13(17)18)2-3-12(16)14-11/h8-10H,2-7H2,1H3,(H,17,18)
InChIKeyRZDJQDFCITWUQK-UHFFFAOYSA-N
XLogP0.95
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid?
The IUPAC name of 2-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid (CID 117153245) is 2-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid?
The canonical SMILES for 2-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid is CN1CCC(c2cn3c(n2)CCC(C(=O)O)C3)C1.
What is the InChIKey of 2-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid?
The InChIKey is RZDJQDFCITWUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-15-5-4-9(6-15)11-8-16-7-10(13(17)18)2-3-12(16)14-11/h8-10H,2-7H2,1H3,(H,17,18).
What are the key properties of 2-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid?
2-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 117153245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).