3-[(2-ethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid

C16H21N3O2 — CID 82029007

IUPAC3-[(2-ethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCCC1CCCCN1Cc1c(C(=O)O)nc2ccccn12
InChIInChI=1S/C16H21N3O2/c1-2-12-7-3-5-9-18(12)11-13-15(16(20)21)17-14-8-4-6-10-19(13)14/h4,6,8,10,12H,2-3,5,7,9,11H2,1H3,(H,20,21)
InChIKeyXFFMUPDQHNZKAJ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.80
Rot. Bonds4

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

3-[(2-ethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 82029007) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-[(2-ethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-ethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID82029007
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-[(2-ethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCCC1CCCCN1Cc1c(C(=O)O)nc2ccccn12
InChIInChI=1S/C16H21N3O2/c1-2-12-7-3-5-9-18(12)11-13-15(16(20)21)17-14-8-4-6-10-19(13)14/h4,6,8,10,12H,2-3,5,7,9,11H2,1H3,(H,20,21)
InChIKeyXFFMUPDQHNZKAJ-UHFFFAOYSA-N
XLogP2.80
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(2-ethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-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

Related Compounds

3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 39121604
2-(2-ethylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43477885
2-(2-ethylazepan-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 104690132
2-[3-[(2-ethylpiperidin-1-yl)methyl]-6-nitroimidazo[1,2-a]pyridin-2-yl]acetic acid
CID 82028927
3-[(dimethylamino)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 39121627
(2R)-1-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 119934738
N-benzyl-3-[(4-carbamoylpiperidin-1-yl)methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 56715082
(4-cyclohexylpiperazin-1-yl)-[3-[(4-ethylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 29257227
1-(2-ethylazepan-1-yl)-3-phenylpropan-2-one
CID 113441826
N-benzyl-3-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 25286717
N-benzyl-3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 56862917
2-(2-ethylazepan-1-yl)-1-phenylethanone
CID 104690677

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(2-ethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid (CID 82029007) is 3-[(2-ethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(2-ethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(2-ethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid is CCC1CCCCN1Cc1c(C(=O)O)nc2ccccn12.
What is the InChIKey of 3-[(2-ethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is XFFMUPDQHNZKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-12-7-3-5-9-18(12)11-13-15(16(20)21)17-14-8-4-6-10-19(13)14/h4,6,8,10,12H,2-3,5,7,9,11H2,1H3,(H,20,21).
What are the key properties of 3-[(2-ethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid?
3-[(2-ethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 82029007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).