2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(oxolan-3-ylmethoxy)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone

C25H26F2N2O5 — CID 167561365

About 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(oxolan-3-ylmethoxy)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone

2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(oxolan-3-ylmethoxy)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone (PubChem CID 167561365) has the molecular formula C25H26F2N2O5 and a molecular weight of 472.49 g/mol. Its IUPAC name is 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(oxolan-3-ylmethoxy)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone.

Molecular Properties

• Compound Name: 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(oxolan-3-ylmethoxy)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
• PubChem CID: 167561365
• Molecular Formula: C25H26F2N2O5
• Molecular Weight: 472.49 g/mol
• Exact Mass: 472.18
• IUPAC Name: 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(oxolan-3-ylmethoxy)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
• SMILES: COc1cc(-c2cnc3cc(OCC4CCOC4)ccn23)cc(OC(F)F)c1C(=O)CC1CC1
• InChI: InChI=1S/C25H26F2N2O5/c1-31-21-9-17(10-22(34-25(26)27)24(21)20(30)8-15-2-3-15)19-12-28-23-11-18(4-6-29(19)23)33-14-16-5-7-32-13-16/h4,6,9-12,15-16,25H,2-3,5,7-8,13-14H2,1H3
• InChIKey: DRWXRXLADAVKTR-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 71.29 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.49
LogP ≤ 5	5.01
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-(oxolan-3-ylmethoxy)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone?

The IUPAC name of 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(oxolan-3-ylmethoxy)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone (CID 167561365) is 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(oxolan-3-ylmethoxy)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone.

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

The canonical SMILES for 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(oxolan-3-ylmethoxy)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone is COc1cc(-c2cnc3cc(OCC4CCOC4)ccn23)cc(OC(F)F)c1C(=O)CC1CC1.

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

The InChIKey is DRWXRXLADAVKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N2O5/c1-31-21-9-17(10-22(34-25(26)27)24(21)20(30)8-15-2-3-15)19-12-28-23-11-18(4-6-29(19)23)33-14-16-5-7-32-13-16/h4,6,9-12,15-16,25H,2-3,5,7-8,13-14H2,1H3.

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

2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(oxolan-3-ylmethoxy)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone has a molecular weight of 472.49 g/mol, XLogP of 5.01, 10 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-(oxolan-3-ylmethoxy)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone is sourced from PubChem (CID 167561365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).