(1-benzyl-5-oxopyrrolidin-3-yl)methyl imidazo[1,2-a]pyridine-3-carboxylate

C20H19N3O3 — CID 71845380

IUPAC(1-benzyl-5-oxopyrrolidin-3-yl)methyl imidazo[1,2-a]pyridine-3-carboxylate
SMILESO=C(OCC1CC(=O)N(Cc2ccccc2)C1)c1cnc2ccccn12
InChIInChI=1S/C20H19N3O3/c24-19-10-16(13-22(19)12-15-6-2-1-3-7-15)14-26-20(25)17-11-21-18-8-4-5-9-23(17)18/h1-9,11,16H,10,12-14H2
InChIKeyJKHCUIVHVBYFIO-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.54
Rot. Bonds5

About (1-benzyl-5-oxopyrrolidin-3-yl)methyl imidazo[1,2-a]pyridine-3-carboxylate

(1-benzyl-5-oxopyrrolidin-3-yl)methyl imidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 71845380) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is (1-benzyl-5-oxopyrrolidin-3-yl)methyl imidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Name(1-benzyl-5-oxopyrrolidin-3-yl)methyl imidazo[1,2-a]pyridine-3-carboxylate
PubChem CID71845380
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name(1-benzyl-5-oxopyrrolidin-3-yl)methyl imidazo[1,2-a]pyridine-3-carboxylate
SMILESO=C(OCC1CC(=O)N(Cc2ccccc2)C1)c1cnc2ccccn12
InChIInChI=1S/C20H19N3O3/c24-19-10-16(13-22(19)12-15-6-2-1-3-7-15)14-26-20(25)17-11-21-18-8-4-5-9-23(17)18/h1-9,11,16H,10,12-14H2
InChIKeyJKHCUIVHVBYFIO-UHFFFAOYSA-N
XLogP2.54
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1-benzyl-5-oxopyrrolidin-3-yl)methyl imidazo[1,2-a]pyridine-3-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 (1-benzyl-5-oxopyrrolidin-3-yl)methyl imidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of (1-benzyl-5-oxopyrrolidin-3-yl)methyl imidazo[1,2-a]pyridine-3-carboxylate (CID 71845380) is (1-benzyl-5-oxopyrrolidin-3-yl)methyl imidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for (1-benzyl-5-oxopyrrolidin-3-yl)methyl imidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for (1-benzyl-5-oxopyrrolidin-3-yl)methyl imidazo[1,2-a]pyridine-3-carboxylate is O=C(OCC1CC(=O)N(Cc2ccccc2)C1)c1cnc2ccccn12.
What is the InChIKey of (1-benzyl-5-oxopyrrolidin-3-yl)methyl imidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is JKHCUIVHVBYFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c24-19-10-16(13-22(19)12-15-6-2-1-3-7-15)14-26-20(25)17-11-21-18-8-4-5-9-23(17)18/h1-9,11,16H,10,12-14H2.
What are the key properties of (1-benzyl-5-oxopyrrolidin-3-yl)methyl imidazo[1,2-a]pyridine-3-carboxylate?
(1-benzyl-5-oxopyrrolidin-3-yl)methyl imidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 349.39 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-5-oxopyrrolidin-3-yl)methyl imidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 71845380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).