1-(3,4-dihydro-1H-isochromen-6-yl)-2-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)ethanone

C22H24N2O3 — CID 165107495

About 1-(3,4-dihydro-1H-isochromen-6-yl)-2-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)ethanone

1-(3,4-dihydro-1H-isochromen-6-yl)-2-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)ethanone (PubChem CID 165107495) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isochromen-6-yl)-2-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)ethanone.

Molecular Properties

• Compound Name: 1-(3,4-dihydro-1H-isochromen-6-yl)-2-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)ethanone
• PubChem CID: 165107495
• Molecular Formula: C22H24N2O3
• Molecular Weight: 364.45 g/mol
• Exact Mass: 364.18
• IUPAC Name: 1-(3,4-dihydro-1H-isochromen-6-yl)-2-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)ethanone
• SMILES: CCOc1cc2nc(CC)cn2cc1CC(=O)c1ccc2c(c1)CCOC2
• InChI: InChI=1S/C22H24N2O3/c1-3-19-13-24-12-18(21(27-4-2)11-22(24)23-19)10-20(25)16-5-6-17-14-26-8-7-15(17)9-16/h5-6,9,11-13H,3-4,7-8,10,14H2,1-2H3
• InChIKey: ZJSKVDFKGXMCQZ-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 52.83 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.45
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isochromen-6-yl)-2-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)ethanone?

The IUPAC name of 1-(3,4-dihydro-1H-isochromen-6-yl)-2-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)ethanone (CID 165107495) is 1-(3,4-dihydro-1H-isochromen-6-yl)-2-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)ethanone.

What is the SMILES notation for 1-(3,4-dihydro-1H-isochromen-6-yl)-2-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)ethanone?

The canonical SMILES for 1-(3,4-dihydro-1H-isochromen-6-yl)-2-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)ethanone is CCOc1cc2nc(CC)cn2cc1CC(=O)c1ccc2c(c1)CCOC2.

What is the InChIKey of 1-(3,4-dihydro-1H-isochromen-6-yl)-2-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)ethanone?

The InChIKey is ZJSKVDFKGXMCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-3-19-13-24-12-18(21(27-4-2)11-22(24)23-19)10-20(25)16-5-6-17-14-26-8-7-15(17)9-16/h5-6,9,11-13H,3-4,7-8,10,14H2,1-2H3.

What are the key properties of 1-(3,4-dihydro-1H-isochromen-6-yl)-2-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)ethanone?

1-(3,4-dihydro-1H-isochromen-6-yl)-2-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)ethanone has a molecular weight of 364.45 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,4-dihydro-1H-isochromen-6-yl)-2-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)ethanone is sourced from PubChem (CID 165107495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).