2-[(1-ethylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid

C16H21N3O2 — CID 117133967

IUPAC2-[(1-ethylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid
SMILESCCN1CCC(Cc2cn3ccc(C(=O)O)cc3n2)CC1
InChIInChI=1S/C16H21N3O2/c1-2-18-6-3-12(4-7-18)9-14-11-19-8-5-13(16(20)21)10-15(19)17-14/h5,8,10-12H,2-4,6-7,9H2,1H3,(H,20,21)
InChIKeyJOSIQDOXPXXYLU-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.31
Rot. Bonds4

About 2-[(1-ethylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid

2-[(1-ethylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid (PubChem CID 117133967) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[(1-ethylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-[(1-ethylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid
PubChem CID117133967
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[(1-ethylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid
SMILESCCN1CCC(Cc2cn3ccc(C(=O)O)cc3n2)CC1
InChIInChI=1S/C16H21N3O2/c1-2-18-6-3-12(4-7-18)9-14-11-19-8-5-13(16(20)21)10-15(19)17-14/h5,8,10-12H,2-4,6-7,9H2,1H3,(H,20,21)
InChIKeyJOSIQDOXPXXYLU-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylpiperidin-4-yl)imidazo[1,2-a]pyridine-7-carboxylic acid
CID 117133711
7-chloro-2-[(1-ethylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine
CID 117133939
2-[(1-ethylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carbaldehyde
CID 117133885
2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine-7-carboxylic acid
CID 117133831
2-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-7-carboxylic acid
CID 117134469
methyl 2-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylate
CID 117133970
2-(1-ethylpiperidin-2-yl)imidazo[1,2-a]pyridine-7-carboxylic acid
CID 117134358
2-(1-ethylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 117133715
2-[(1-ethylpiperidin-4-yl)methyl]-6-methoxyimidazo[1,2-a]pyridine
CID 117129178
[2-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridin-7-yl]methanamine
CID 117133868
2-cyclohexylimidazo[1,2-a]pyridine-7-carboxylic acid
CID 82357034
2-[(3-hydroxyphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 117256445

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid?
The IUPAC name of 2-[(1-ethylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid (CID 117133967) is 2-[(1-ethylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-[(1-ethylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid?
The canonical SMILES for 2-[(1-ethylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid is CCN1CCC(Cc2cn3ccc(C(=O)O)cc3n2)CC1.
What is the InChIKey of 2-[(1-ethylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid?
The InChIKey is JOSIQDOXPXXYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-18-6-3-12(4-7-18)9-14-11-19-8-5-13(16(20)21)10-15(19)17-14/h5,8,10-12H,2-4,6-7,9H2,1H3,(H,20,21).
What are the key properties of 2-[(1-ethylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid?
2-[(1-ethylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 117133967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).