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

C13H19N3O2 — CID 117151871

IUPAC3-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
SMILESCN1CCC(c2ncc3n2CCCC3C(=O)O)C1
InChIInChI=1S/C13H19N3O2/c1-15-6-4-9(8-15)12-14-7-11-10(13(17)18)3-2-5-16(11)12/h7,9-10H,2-6,8H2,1H3,(H,17,18)
InChIKeyWYIJZRAQLNDKIH-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.26
Rot. Bonds2

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

3-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid (PubChem CID 117151871) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name3-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
PubChem CID117151871
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
SMILESCN1CCC(c2ncc3n2CCCC3C(=O)O)C1
InChIInChI=1S/C13H19N3O2/c1-15-6-4-9(8-15)12-14-7-11-10(13(17)18)3-2-5-16(11)12/h7,9-10H,2-6,8H2,1H3,(H,17,18)
InChIKeyWYIJZRAQLNDKIH-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid?
The IUPAC name of 3-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid (CID 117151871) is 3-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 3-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid?
The canonical SMILES for 3-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid is CN1CCC(c2ncc3n2CCCC3C(=O)O)C1.
What is the InChIKey of 3-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid?
The InChIKey is WYIJZRAQLNDKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-15-6-4-9(8-15)12-14-7-11-10(13(17)18)3-2-5-16(11)12/h7,9-10H,2-6,8H2,1H3,(H,17,18).
What are the key properties of 3-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid?
3-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 117151871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).