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

C16H21N3O2 — CID 104690132

IUPAC2-(2-ethylazepan-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCCC1CCCCCN1c1nc2ccccn2c1C(=O)O
InChIInChI=1S/C16H21N3O2/c1-2-12-8-4-3-6-10-18(12)15-14(16(20)21)19-11-7-5-9-13(19)17-15/h5,7,9,11-12H,2-4,6,8,10H2,1H3,(H,20,21)
InChIKeyJZBMUNBJEOTDIA-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.19
Rot. Bonds3

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

2-(2-ethylazepan-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 104690132) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(2-ethylazepan-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethylazepan-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID104690132
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-(2-ethylazepan-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCCC1CCCCCN1c1nc2ccccn2c1C(=O)O
InChIInChI=1S/C16H21N3O2/c1-2-12-8-4-3-6-10-18(12)15-14(16(20)21)19-11-7-5-9-13(19)17-15/h5,7,9,11-12H,2-4,6,8,10H2,1H3,(H,20,21)
InChIKeyJZBMUNBJEOTDIA-UHFFFAOYSA-N
XLogP3.19
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43477885
2-[2-(hydroxymethyl)azepan-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 116635079
2-(2-carbamoylpyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43477869
2-(3-ethylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43584666
2-(2-ethyl-3-oxopiperazin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 63602196
2-(4-methylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43477803
1-[2-(2-ethylpyrrolidin-1-yl)imidazo[1,2-a]pyridin-3-yl]propan-2-amine
CID 63786397
3-[(2-ethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 82029007
2-(3-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61227192
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 102883872
N-methyl-1-[2-(2-propylpiperidin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 83045362
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-ethylazepan-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-(2-ethylazepan-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid (CID 104690132) is 2-(2-ethylazepan-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-ethylazepan-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-ethylazepan-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid is CCC1CCCCCN1c1nc2ccccn2c1C(=O)O.
What is the InChIKey of 2-(2-ethylazepan-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is JZBMUNBJEOTDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-12-8-4-3-6-10-18(12)15-14(16(20)21)19-11-7-5-9-13(19)17-15/h5,7,9,11-12H,2-4,6,8,10H2,1H3,(H,20,21).
What are the key properties of 2-(2-ethylazepan-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid?
2-(2-ethylazepan-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylazepan-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 104690132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).