2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(2-oxaspiro[3.3]heptan-6-yloxy)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone

C26H26F2N2O5 — CID 167551155

About 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(2-oxaspiro[3.3]heptan-6-yloxy)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone

2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(2-oxaspiro[3.3]heptan-6-yloxy)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone (PubChem CID 167551155) has the molecular formula C26H26F2N2O5 and a molecular weight of 484.50 g/mol. Its IUPAC name is 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(2-oxaspiro[3.3]heptan-6-yloxy)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone.

Molecular Properties

• Compound Name: 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(2-oxaspiro[3.3]heptan-6-yloxy)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
• PubChem CID: 167551155
• Molecular Formula: C26H26F2N2O5
• Molecular Weight: 484.50 g/mol
• Exact Mass: 484.18
• IUPAC Name: 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(2-oxaspiro[3.3]heptan-6-yloxy)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
• SMILES: COc1cc(-c2cnc3cc(OC4CC5(COC5)C4)ccn23)cc(OC(F)F)c1C(=O)CC1CC1
• InChI: InChI=1S/C26H26F2N2O5/c1-32-21-7-16(8-22(35-25(27)28)24(21)20(31)6-15-2-3-15)19-12-29-23-9-17(4-5-30(19)23)34-18-10-26(11-18)13-33-14-26/h4-5,7-9,12,15,18,25H,2-3,6,10-11,13-14H2,1H3
• InChIKey: CKNCDIBNQLLFDP-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 71.29 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.50
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(2-oxaspiro[3.3]heptan-6-yloxy)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone?

The IUPAC name of 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(2-oxaspiro[3.3]heptan-6-yloxy)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone (CID 167551155) is 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(2-oxaspiro[3.3]heptan-6-yloxy)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone.

What is the SMILES notation for 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(2-oxaspiro[3.3]heptan-6-yloxy)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone?

The canonical SMILES for 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(2-oxaspiro[3.3]heptan-6-yloxy)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone is COc1cc(-c2cnc3cc(OC4CC5(COC5)C4)ccn23)cc(OC(F)F)c1C(=O)CC1CC1.

What is the InChIKey of 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(2-oxaspiro[3.3]heptan-6-yloxy)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone?

The InChIKey is CKNCDIBNQLLFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N2O5/c1-32-21-7-16(8-22(35-25(27)28)24(21)20(31)6-15-2-3-15)19-12-29-23-9-17(4-5-30(19)23)34-18-10-26(11-18)13-33-14-26/h4-5,7-9,12,15,18,25H,2-3,6,10-11,13-14H2,1H3.

What are the key properties of 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(2-oxaspiro[3.3]heptan-6-yloxy)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone?

2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(2-oxaspiro[3.3]heptan-6-yloxy)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone has a molecular weight of 484.50 g/mol, XLogP of 5.15, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(2-oxaspiro[3.3]heptan-6-yloxy)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone is sourced from PubChem (CID 167551155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).