1-(2-cyclopropyl-1,3-thiazol-4-yl)-2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone

C22H25N3O3S — CID 165097298

About 1-(2-cyclopropyl-1,3-thiazol-4-yl)-2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone

1-(2-cyclopropyl-1,3-thiazol-4-yl)-2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone (PubChem CID 165097298) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is 1-(2-cyclopropyl-1,3-thiazol-4-yl)-2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone.

Molecular Properties

• Compound Name: 1-(2-cyclopropyl-1,3-thiazol-4-yl)-2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone
• PubChem CID: 165097298
• Molecular Formula: C22H25N3O3S
• Molecular Weight: 411.53 g/mol
• Exact Mass: 411.16
• IUPAC Name: 1-(2-cyclopropyl-1,3-thiazol-4-yl)-2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone
• SMILES: CCOc1cc2nc(C3CCOCC3)cn2cc1CC(=O)c1csc(C2CC2)n1
• InChI: InChI=1S/C22H25N3O3S/c1-2-28-20-10-21-23-17(14-5-7-27-8-6-14)12-25(21)11-16(20)9-19(26)18-13-29-22(24-18)15-3-4-15/h10-15H,2-9H2,1H3
• InChIKey: XSJHQWHIFHCCOP-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 65.72 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.53
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-1,3-thiazol-4-yl)-2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone?

The IUPAC name of 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) is 1-(2-cyclopropyl-1,3-thiazol-4-yl)-2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone.

What is the SMILES notation for 1-(2-cyclopropyl-1,3-thiazol-4-yl)-2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone?

The canonical SMILES for 1-(2-cyclopropyl-1,3-thiazol-4-yl)-2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone is CCOc1cc2nc(C3CCOCC3)cn2cc1CC(=O)c1csc(C2CC2)n1.

What is the InChIKey of 1-(2-cyclopropyl-1,3-thiazol-4-yl)-2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone?

The InChIKey is XSJHQWHIFHCCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-2-28-20-10-21-23-17(14-5-7-27-8-6-14)12-25(21)11-16(20)9-19(26)18-13-29-22(24-18)15-3-4-15/h10-15H,2-9H2,1H3.

What are the key properties of 1-(2-cyclopropyl-1,3-thiazol-4-yl)-2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone?

1-(2-cyclopropyl-1,3-thiazol-4-yl)-2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone has a molecular weight of 411.53 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-cyclopropyl-1,3-thiazol-4-yl)-2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone is sourced from PubChem (CID 165097298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).