3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid

C15H19N3O2 — CID 117250358

IUPAC3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCC(C)N1CCC(c2nc(C(=O)O)c3ccccn23)C1
InChIInChI=1S/C15H19N3O2/c1-10(2)17-8-6-11(9-17)14-16-13(15(19)20)12-5-3-4-7-18(12)14/h3-5,7,10-11H,6,8-9H2,1-2H3,(H,19,20)
InChIKeyFUBXPTSFDWSZHH-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.23
Rot. Bonds3

About 3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid

3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117250358) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117250358
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCC(C)N1CCC(c2nc(C(=O)O)c3ccccn23)C1
InChIInChI=1S/C15H19N3O2/c1-10(2)17-8-6-11(9-17)14-16-13(15(19)20)12-5-3-4-7-18(12)14/h3-5,7,10-11H,6,8-9H2,1-2H3,(H,19,20)
InChIKeyFUBXPTSFDWSZHH-UHFFFAOYSA-N
XLogP2.23
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid (CID 117250358) is 3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid is CC(C)N1CCC(c2nc(C(=O)O)c3ccccn23)C1.
What is the InChIKey of 3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is FUBXPTSFDWSZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10(2)17-8-6-11(9-17)14-16-13(15(19)20)12-5-3-4-7-18(12)14/h3-5,7,10-11H,6,8-9H2,1-2H3,(H,19,20).
What are the key properties of 3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid?
3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 273.34 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117250358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).