3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-8-carboxylic acid

C13H15N3O2 — CID 117147434

IUPAC3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1cccn2c(CC3CCNC3)ncc12
InChIInChI=1S/C13H15N3O2/c17-13(18)10-2-1-5-16-11(10)8-15-12(16)6-9-3-4-14-7-9/h1-2,5,8-9,14H,3-4,6-7H2,(H,17,18)
InChIKeyUZVKYETUZFOXMV-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.18
Rot. Bonds3

About 3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-8-carboxylic acid

3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-8-carboxylic acid (PubChem CID 117147434) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-8-carboxylic acid
PubChem CID117147434
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1cccn2c(CC3CCNC3)ncc12
InChIInChI=1S/C13H15N3O2/c17-13(18)10-2-1-5-16-11(10)8-15-12(16)6-9-3-4-14-7-9/h1-2,5,8-9,14H,3-4,6-7H2,(H,17,18)
InChIKeyUZVKYETUZFOXMV-UHFFFAOYSA-N
XLogP1.18
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-8-carboxylic acid?
The IUPAC name of 3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-8-carboxylic acid (CID 117147434) is 3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-8-carboxylic acid?
The canonical SMILES for 3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-8-carboxylic acid is O=C(O)c1cccn2c(CC3CCNC3)ncc12.
What is the InChIKey of 3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-8-carboxylic acid?
The InChIKey is UZVKYETUZFOXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-13(18)10-2-1-5-16-11(10)8-15-12(16)6-9-3-4-14-7-9/h1-2,5,8-9,14H,3-4,6-7H2,(H,17,18).
What are the key properties of 3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-8-carboxylic acid?
3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-8-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 117147434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).