2-cyclopropyl-1-[2-(difluoromethoxy)-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxyphenyl]ethanone;2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[(1-methylazetidin-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone

C45H44F5N5O7 — CID 167680873

About 2-cyclopropyl-1-[2-(difluoromethoxy)-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxyphenyl]ethanone;2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[(1-methylazetidin-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone

2-cyclopropyl-1-[2-(difluoromethoxy)-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxyphenyl]ethanone;2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[(1-methylazetidin-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone (PubChem CID 167680873) has the molecular formula C45H44F5N5O7 and a molecular weight of 861.87 g/mol. Its IUPAC name is 2-cyclopropyl-1-[2-(difluoromethoxy)-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxyphenyl]ethanone;2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[(1-methylazetidin-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone.

Molecular Properties

• Compound Name: 2-cyclopropyl-1-[2-(difluoromethoxy)-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxyphenyl]ethanone;2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[(1-methylazetidin-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
• PubChem CID: 167680873
• Molecular Formula: C45H44F5N5O7
• Molecular Weight: 861.87 g/mol
• Exact Mass: 861.32
• IUPAC Name: 2-cyclopropyl-1-[2-(difluoromethoxy)-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxyphenyl]ethanone;2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[(1-methylazetidin-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
• SMILES: COc1cc(-c2cnc3cc(F)ccn23)cc(OC(F)F)c1C(=O)CC1CC1.COc1cc(-c2cnc3cc(OCC4CN(C)C4)ccn23)cc(OC(F)F)c1C(=O)CC1CC1
• InChI: InChI=1S/C25H27F2N3O4.C20H17F3N2O3/c1-29-12-16(13-29)14-33-18-5-6-30-19(11-28-23(30)10-18)17-8-21(32-2)24(20(31)7-15-3-4-15)22(9-17)34-25(26)27;1-27-16-7-12(14-10-24-18-9-13(21)4-5-25(14)18)8-17(28-20(22)23)19(16)15(26)6-11-2-3-11/h5-6,8-11,15-16,25H,3-4,7,12-14H2,1-2H3;4-5,7-11,20H,2-3,6H2,1H3
• InChIKey: VNFMLSZGMAQGFT-UHFFFAOYSA-N
• XLogP: 9.27
• TPSA: 118.13 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 17
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	861.87
LogP ≤ 5	9.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[2-(difluoromethoxy)-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxyphenyl]ethanone;2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[(1-methylazetidin-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone?

The IUPAC name of 2-cyclopropyl-1-[2-(difluoromethoxy)-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxyphenyl]ethanone;2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[(1-methylazetidin-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone (CID 167680873) is 2-cyclopropyl-1-[2-(difluoromethoxy)-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxyphenyl]ethanone;2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[(1-methylazetidin-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone.

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

The canonical SMILES for 2-cyclopropyl-1-[2-(difluoromethoxy)-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxyphenyl]ethanone;2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[(1-methylazetidin-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone is COc1cc(-c2cnc3cc(F)ccn23)cc(OC(F)F)c1C(=O)CC1CC1.COc1cc(-c2cnc3cc(OCC4CN(C)C4)ccn23)cc(OC(F)F)c1C(=O)CC1CC1.

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

The InChIKey is VNFMLSZGMAQGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N3O4.C20H17F3N2O3/c1-29-12-16(13-29)14-33-18-5-6-30-19(11-28-23(30)10-18)17-8-21(32-2)24(20(31)7-15-3-4-15)22(9-17)34-25(26)27;1-27-16-7-12(14-10-24-18-9-13(21)4-5-25(14)18)8-17(28-20(22)23)19(16)15(26)6-11-2-3-11/h5-6,8-11,15-16,25H,3-4,7,12-14H2,1-2H3;4-5,7-11,20H,2-3,6H2,1H3.

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

2-cyclopropyl-1-[2-(difluoromethoxy)-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxyphenyl]ethanone;2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[(1-methylazetidin-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone has a molecular weight of 861.87 g/mol, XLogP of 9.27, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-1-[2-(difluoromethoxy)-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxyphenyl]ethanone;2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[(1-methylazetidin-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone is sourced from PubChem (CID 167680873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).