2-[6-(azepan-1-yl)imidazo[1,2-a]pyridin-2-yl]acetic acid

C15H19N3O2 — CID 82022014

IUPAC2-[6-(azepan-1-yl)imidazo[1,2-a]pyridin-2-yl]acetic acid
SMILESO=C(O)Cc1cn2cc(N3CCCCCC3)ccc2n1
InChIInChI=1S/C15H19N3O2/c19-15(20)9-12-10-18-11-13(5-6-14(18)16-12)17-7-3-1-2-4-8-17/h5-6,10-11H,1-4,7-9H2,(H,19,20)
InChIKeyDVHQBYATJXINLX-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.34
Rot. Bonds3

About 2-[6-(azepan-1-yl)imidazo[1,2-a]pyridin-2-yl]acetic acid

2-[6-(azepan-1-yl)imidazo[1,2-a]pyridin-2-yl]acetic acid (PubChem CID 82022014) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[6-(azepan-1-yl)imidazo[1,2-a]pyridin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(azepan-1-yl)imidazo[1,2-a]pyridin-2-yl]acetic acid
PubChem CID82022014
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[6-(azepan-1-yl)imidazo[1,2-a]pyridin-2-yl]acetic acid
SMILESO=C(O)Cc1cn2cc(N3CCCCCC3)ccc2n1
InChIInChI=1S/C15H19N3O2/c19-15(20)9-12-10-18-11-13(5-6-14(18)16-12)17-7-3-1-2-4-8-17/h5-6,10-11H,1-4,7-9H2,(H,19,20)
InChIKeyDVHQBYATJXINLX-UHFFFAOYSA-N
XLogP2.34
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetic acid
CID 117099205
(6-piperidin-1-ylimidazo[1,2-a]pyridin-2-yl)methanamine
CID 117099368
2-[6-(2,6-dimethylpiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetic acid
CID 82022022
N-methyl-2-(6-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl)acetamide
CID 82055266
2-[6-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]acetic acid
CID 82022029
2-(6-pyrrolidin-1-ylquinolin-2-yl)acetic acid
CID 82245506
2-[4-(2-ethylimidazo[1,2-a]pyridin-6-yl)piperazin-1-yl]sulfinylacetamide
CID 155469585
6-(4-methylpiperidin-1-yl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 117099177
2-(4-pyrrolidin-1-ylphenyl)sulfanylacetic acid
CID 139572185
2-[3-(azepan-1-yl)phenyl]acetic acid
CID 79695336
1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetyl]pyrrolidine-3-carboxylic acid
CID 119354011
2-[4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]acetic acid
CID 43521725

Frequently Asked Questions

What is the IUPAC name of 2-[6-(azepan-1-yl)imidazo[1,2-a]pyridin-2-yl]acetic acid?
The IUPAC name of 2-[6-(azepan-1-yl)imidazo[1,2-a]pyridin-2-yl]acetic acid (CID 82022014) is 2-[6-(azepan-1-yl)imidazo[1,2-a]pyridin-2-yl]acetic acid.
What is the SMILES notation for 2-[6-(azepan-1-yl)imidazo[1,2-a]pyridin-2-yl]acetic acid?
The canonical SMILES for 2-[6-(azepan-1-yl)imidazo[1,2-a]pyridin-2-yl]acetic acid is O=C(O)Cc1cn2cc(N3CCCCCC3)ccc2n1.
What is the InChIKey of 2-[6-(azepan-1-yl)imidazo[1,2-a]pyridin-2-yl]acetic acid?
The InChIKey is DVHQBYATJXINLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c19-15(20)9-12-10-18-11-13(5-6-14(18)16-12)17-7-3-1-2-4-8-17/h5-6,10-11H,1-4,7-9H2,(H,19,20).
What are the key properties of 2-[6-(azepan-1-yl)imidazo[1,2-a]pyridin-2-yl]acetic acid?
2-[6-(azepan-1-yl)imidazo[1,2-a]pyridin-2-yl]acetic acid has a molecular weight of 273.34 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(azepan-1-yl)imidazo[1,2-a]pyridin-2-yl]acetic acid is sourced from PubChem (CID 82022014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).