2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(methoxymethyl)-2-pyridinyl]ethanone

C23H27N3O4 — CID 164986455

IUPAC2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(methoxymethyl)-2-pyridinyl]ethanone
SMILESCCOc1cc2nc(C3CCOCC3)cn2cc1CC(=O)c1cccc(COC)n1
InChIInChI=1S/C23H27N3O4/c1-3-30-22-12-23-25-20(16-7-9-29-10-8-16)14-26(23)13-17(22)11-21(27)19-6-4-5-18(24-19)15-28-2/h4-6,12-14,16H,3,7-11,15H2,1-2H3
InChIKeyGFPJXRUDAICBLH-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.59
Rot. Bonds8

About 2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(methoxymethyl)-2-pyridinyl]ethanone

2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(methoxymethyl)-2-pyridinyl]ethanone (PubChem CID 164986455) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(methoxymethyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(methoxymethyl)-2-pyridinyl]ethanone
PubChem CID164986455
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(methoxymethyl)-2-pyridinyl]ethanone
SMILESCCOc1cc2nc(C3CCOCC3)cn2cc1CC(=O)c1cccc(COC)n1
InChIInChI=1S/C23H27N3O4/c1-3-30-22-12-23-25-20(16-7-9-29-10-8-16)14-26(23)13-17(22)11-21(27)19-6-4-5-18(24-19)15-28-2/h4-6,12-14,16H,3,7-11,15H2,1-2H3
InChIKeyGFPJXRUDAICBLH-UHFFFAOYSA-N
XLogP3.59
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone
CID 164961282
2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-(2-methoxyphenyl)ethanone
CID 165011161
1-(2-cyclopropyl-1,3-thiazol-4-yl)-2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone
CID 165097298
2-[2-cyclopropyl-7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone
CID 164979534
2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-(3-methoxy-4-methylthiophen-2-yl)ethanone
CID 165018408
1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone
CID 165007665
1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-fluoro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone
CID 165046881
1-(1-methylpyrazol-3-yl)-2-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone
CID 164993715
1-[1-(difluoromethyl)pyrazol-3-yl]-2-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone
CID 164991172
methyl 3-[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate
CID 165017034
1-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-4-yl]-2-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone
CID 165089165
2-[2-[(S)-cyclopropyl(hydroxy)methyl]-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 164976433

Frequently Asked Questions

What is the IUPAC name of 2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(methoxymethyl)-2-pyridinyl]ethanone?
The IUPAC name of 2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(methoxymethyl)-2-pyridinyl]ethanone (CID 164986455) is 2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(methoxymethyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(methoxymethyl)-2-pyridinyl]ethanone?
The canonical SMILES for 2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(methoxymethyl)-2-pyridinyl]ethanone is CCOc1cc2nc(C3CCOCC3)cn2cc1CC(=O)c1cccc(COC)n1.
What is the InChIKey of 2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(methoxymethyl)-2-pyridinyl]ethanone?
The InChIKey is GFPJXRUDAICBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-3-30-22-12-23-25-20(16-7-9-29-10-8-16)14-26(23)13-17(22)11-21(27)19-6-4-5-18(24-19)15-28-2/h4-6,12-14,16H,3,7-11,15H2,1-2H3.
What are the key properties of 2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(methoxymethyl)-2-pyridinyl]ethanone?
2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(methoxymethyl)-2-pyridinyl]ethanone has a molecular weight of 409.49 g/mol, XLogP of 3.59, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(methoxymethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 164986455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).