2-[2-(hydroxymethyl)azepan-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid

C15H19N3O3 — CID 116635079

IUPAC2-[2-(hydroxymethyl)azepan-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1c(N2CCCCCC2CO)nc2ccccn12
InChIInChI=1S/C15H19N3O3/c19-10-11-6-2-1-4-8-17(11)14-13(15(20)21)18-9-5-3-7-12(18)16-14/h3,5,7,9,11,19H,1-2,4,6,8,10H2,(H,20,21)
InChIKeyYRPLJSYBIFQETQ-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.77
Rot. Bonds3

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

2-[2-(hydroxymethyl)azepan-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 116635079) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)azepan-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)azepan-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID116635079
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name2-[2-(hydroxymethyl)azepan-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1c(N2CCCCCC2CO)nc2ccccn12
InChIInChI=1S/C15H19N3O3/c19-10-11-6-2-1-4-8-17(11)14-13(15(20)21)18-9-5-3-7-12(18)16-14/h3,5,7,9,11,19H,1-2,4,6,8,10H2,(H,20,21)
InChIKeyYRPLJSYBIFQETQ-UHFFFAOYSA-N
XLogP1.77
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethylazepan-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 104690132
2-(2-ethylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43477885
2-(2-carbamoylpyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43477869
1-[2-(hydroxymethyl)piperidin-1-yl]isoquinoline-3-carboxylic acid
CID 61407165
2-(4-methylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43477803
2-(3-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61227192
2-(3-ethylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43584666
2-[3-(aminomethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 62063458
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 102883872
2-(2-ethyl-3-oxopiperazin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 63602196
2-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 63163885
2-(3-hydroxy-4-methylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 102958616

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)azepan-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-[2-(hydroxymethyl)azepan-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid (CID 116635079) is 2-[2-(hydroxymethyl)azepan-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[2-(hydroxymethyl)azepan-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[2-(hydroxymethyl)azepan-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid is O=C(O)c1c(N2CCCCCC2CO)nc2ccccn12.
What is the InChIKey of 2-[2-(hydroxymethyl)azepan-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is YRPLJSYBIFQETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c19-10-11-6-2-1-4-8-17(11)14-13(15(20)21)18-9-5-3-7-12(18)16-14/h3,5,7,9,11,19H,1-2,4,6,8,10H2,(H,20,21).
What are the key properties of 2-[2-(hydroxymethyl)azepan-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid?
2-[2-(hydroxymethyl)azepan-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)azepan-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 116635079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).