1-(azepan-1-yl)-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyethanone

C16H21N3O2 — CID 110498271

IUPAC1-(azepan-1-yl)-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyethanone
SMILESCc1cn2cccc(OCC(=O)N3CCCCCC3)c2n1
InChIInChI=1S/C16H21N3O2/c1-13-11-19-10-6-7-14(16(19)17-13)21-12-15(20)18-8-4-2-3-5-9-18/h6-7,10-11H,2-5,8-9,12H2,1H3
InChIKeyXOPMERKEOBZLKA-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.42
Rot. Bonds3

About 1-(azepan-1-yl)-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyethanone

1-(azepan-1-yl)-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyethanone (PubChem CID 110498271) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyethanone
PubChem CID110498271
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-(azepan-1-yl)-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyethanone
SMILESCc1cn2cccc(OCC(=O)N3CCCCCC3)c2n1
InChIInChI=1S/C16H21N3O2/c1-13-11-19-10-6-7-14(16(19)17-13)21-12-15(20)18-8-4-2-3-5-9-18/h6-7,10-11H,2-5,8-9,12H2,1H3
InChIKeyXOPMERKEOBZLKA-UHFFFAOYSA-N
XLogP2.42
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(azepan-1-yl)-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyethanone 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

1-[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]piperidin-4-one
CID 110498338
8-(2-oxo-2-pyrrolidin-1-ylethoxy)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 82055667
1-(2,6-dimethylmorpholin-4-yl)-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyethanone
CID 110498300
2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxy-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
CID 110498326
N-(2,6-dichlorophenyl)-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetamide
CID 110500214
2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxy-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 110496806
N-butyl-N-ethyl-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetamide
CID 110498290
2-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-1-(azepan-1-yl)ethanone
CID 79164469
2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxy-N-(3-morpholin-4-ylpropyl)acetamide
CID 110496764
2-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]pentanoic acid
CID 110496809
3-(2-oxo-2-piperidin-1-ylethoxy)pyridine-2-carboxylic acid
CID 61380056
2-(2-tert-butylphenoxy)-1-piperidin-1-ylethanone
CID 60681856

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyethanone?
The IUPAC name of 1-(azepan-1-yl)-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyethanone (CID 110498271) is 1-(azepan-1-yl)-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyethanone is Cc1cn2cccc(OCC(=O)N3CCCCCC3)c2n1.
What is the InChIKey of 1-(azepan-1-yl)-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyethanone?
The InChIKey is XOPMERKEOBZLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-13-11-19-10-6-7-14(16(19)17-13)21-12-15(20)18-8-4-2-3-5-9-18/h6-7,10-11H,2-5,8-9,12H2,1H3.
What are the key properties of 1-(azepan-1-yl)-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyethanone?
1-(azepan-1-yl)-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyethanone has a molecular weight of 287.36 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyethanone is sourced from PubChem (CID 110498271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).