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

C12H17N3O2 — CID 116984200

IUPAC3-pyrrolidin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)c1nc(C2CCCN2)n2c1CCCC2
InChIInChI=1S/C12H17N3O2/c16-12(17)10-9-5-1-2-7-15(9)11(14-10)8-4-3-6-13-8/h8,13H,1-7H2,(H,16,17)
InChIKeyRAVYHPQIOURNQE-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.34
Rot. Bonds2

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

3-pyrrolidin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 116984200) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-pyrrolidin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-pyrrolidin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID116984200
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-pyrrolidin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)c1nc(C2CCCN2)n2c1CCCC2
InChIInChI=1S/C12H17N3O2/c16-12(17)10-9-5-1-2-7-15(9)11(14-10)8-4-3-6-13-8/h8,13H,1-7H2,(H,16,17)
InChIKeyRAVYHPQIOURNQE-UHFFFAOYSA-N
XLogP1.34
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 3-pyrrolidin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid (CID 116984200) is 3-pyrrolidin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 3-pyrrolidin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 3-pyrrolidin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid is O=C(O)c1nc(C2CCCN2)n2c1CCCC2.
What is the InChIKey of 3-pyrrolidin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is RAVYHPQIOURNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-12(17)10-9-5-1-2-7-15(9)11(14-10)8-4-3-6-13-8/h8,13H,1-7H2,(H,16,17).
What are the key properties of 3-pyrrolidin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
3-pyrrolidin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 235.29 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 116984200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).