2-[3-(aminomethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid

C13H16N4O2 — CID 62063458

IUPAC2-[3-(aminomethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESNCC1CCN(c2nc3ccccn3c2C(=O)O)C1
InChIInChI=1S/C13H16N4O2/c14-7-9-4-6-16(8-9)12-11(13(18)19)17-5-2-1-3-10(17)15-12/h1-3,5,9H,4,6-8,14H2,(H,18,19)
InChIKeyHZSZAAYJQAWNFH-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.82
Rot. Bonds3

About 2-[3-(aminomethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid

2-[3-(aminomethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 62063458) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-[3-(aminomethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[3-(aminomethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID62063458
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-[3-(aminomethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESNCC1CCN(c2nc3ccccn3c2C(=O)O)C1
InChIInChI=1S/C13H16N4O2/c14-7-9-4-6-16(8-9)12-11(13(18)19)17-5-2-1-3-10(17)15-12/h1-3,5,9H,4,6-8,14H2,(H,18,19)
InChIKeyHZSZAAYJQAWNFH-UHFFFAOYSA-N
XLogP0.82
TPSA83.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-(aminomethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid 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 2-[3-(aminomethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-[3-(aminomethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid (CID 62063458) is 2-[3-(aminomethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[3-(aminomethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[3-(aminomethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid is NCC1CCN(c2nc3ccccn3c2C(=O)O)C1.
What is the InChIKey of 2-[3-(aminomethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is HZSZAAYJQAWNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c14-7-9-4-6-16(8-9)12-11(13(18)19)17-5-2-1-3-10(17)15-12/h1-3,5,9H,4,6-8,14H2,(H,18,19).
What are the key properties of 2-[3-(aminomethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid?
2-[3-(aminomethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 260.30 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 62063458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).