methyl 3-(2-pyrrolidin-1-ylethyl)imidazo[1,5-a]pyridine-7-carboxylate

C15H19N3O2 — CID 117145337

IUPACmethyl 3-(2-pyrrolidin-1-ylethyl)imidazo[1,5-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2c(CCN3CCCC3)ncc2c1
InChIInChI=1S/C15H19N3O2/c1-20-15(19)12-4-9-18-13(10-12)11-16-14(18)5-8-17-6-2-3-7-17/h4,9-11H,2-3,5-8H2,1H3
InChIKeyVKUUGGIQCRZMSG-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.76
Rot. Bonds4

About methyl 3-(2-pyrrolidin-1-ylethyl)imidazo[1,5-a]pyridine-7-carboxylate

methyl 3-(2-pyrrolidin-1-ylethyl)imidazo[1,5-a]pyridine-7-carboxylate (PubChem CID 117145337) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is methyl 3-(2-pyrrolidin-1-ylethyl)imidazo[1,5-a]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-pyrrolidin-1-ylethyl)imidazo[1,5-a]pyridine-7-carboxylate
PubChem CID117145337
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Namemethyl 3-(2-pyrrolidin-1-ylethyl)imidazo[1,5-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2c(CCN3CCCC3)ncc2c1
InChIInChI=1S/C15H19N3O2/c1-20-15(19)12-4-9-18-13(10-12)11-16-14(18)5-8-17-6-2-3-7-17/h4,9-11H,2-3,5-8H2,1H3
InChIKeyVKUUGGIQCRZMSG-UHFFFAOYSA-N
XLogP1.76
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-(2-pyrrolidin-1-ylethyl)imidazo[1,5-a]pyridine-7-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-pyrrolidin-1-ylethyl)imidazo[1,5-a]pyridine-7-carboxylate?
The IUPAC name of methyl 3-(2-pyrrolidin-1-ylethyl)imidazo[1,5-a]pyridine-7-carboxylate (CID 117145337) is methyl 3-(2-pyrrolidin-1-ylethyl)imidazo[1,5-a]pyridine-7-carboxylate.
What is the SMILES notation for methyl 3-(2-pyrrolidin-1-ylethyl)imidazo[1,5-a]pyridine-7-carboxylate?
The canonical SMILES for methyl 3-(2-pyrrolidin-1-ylethyl)imidazo[1,5-a]pyridine-7-carboxylate is COC(=O)c1ccn2c(CCN3CCCC3)ncc2c1.
What is the InChIKey of methyl 3-(2-pyrrolidin-1-ylethyl)imidazo[1,5-a]pyridine-7-carboxylate?
The InChIKey is VKUUGGIQCRZMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-20-15(19)12-4-9-18-13(10-12)11-16-14(18)5-8-17-6-2-3-7-17/h4,9-11H,2-3,5-8H2,1H3.
What are the key properties of methyl 3-(2-pyrrolidin-1-ylethyl)imidazo[1,5-a]pyridine-7-carboxylate?
methyl 3-(2-pyrrolidin-1-ylethyl)imidazo[1,5-a]pyridine-7-carboxylate has a molecular weight of 273.34 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-pyrrolidin-1-ylethyl)imidazo[1,5-a]pyridine-7-carboxylate is sourced from PubChem (CID 117145337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).