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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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).