2-cyclopropyl-1-[4-[7-[2-[2,2-difluoroethyl(methyl)amino]ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]ethanone

C25H27F4N3O4 — CID 167645780

About 2-cyclopropyl-1-[4-[7-[2-[2,2-difluoroethyl(methyl)amino]ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]ethanone

2-cyclopropyl-1-[4-[7-[2-[2,2-difluoroethyl(methyl)amino]ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]ethanone (PubChem CID 167645780) has the molecular formula C25H27F4N3O4 and a molecular weight of 509.50 g/mol. Its IUPAC name is 2-cyclopropyl-1-[4-[7-[2-[2,2-difluoroethyl(methyl)amino]ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]ethanone.

Molecular Properties

• Compound Name: 2-cyclopropyl-1-[4-[7-[2-[2,2-difluoroethyl(methyl)amino]ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]ethanone
• PubChem CID: 167645780
• Molecular Formula: C25H27F4N3O4
• Molecular Weight: 509.50 g/mol
• Exact Mass: 509.19
• IUPAC Name: 2-cyclopropyl-1-[4-[7-[2-[2,2-difluoroethyl(methyl)amino]ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]ethanone
• SMILES: COc1cc(-c2cnc3cc(OCCN(C)CC(F)F)ccn23)cc(OC(F)F)c1C(=O)CC1CC1
• InChI: InChI=1S/C25H27F4N3O4/c1-31(14-22(26)27)7-8-35-17-5-6-32-18(13-30-23(32)12-17)16-10-20(34-2)24(19(33)9-15-3-4-15)21(11-16)36-25(28)29/h5-6,10-13,15,22,25H,3-4,7-9,14H2,1-2H3
• InChIKey: PVSHTYAHYQYACJ-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 65.30 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.50
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[4-[7-[2-[2,2-difluoroethyl(methyl)amino]ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]ethanone?

The IUPAC name of 2-cyclopropyl-1-[4-[7-[2-[2,2-difluoroethyl(methyl)amino]ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]ethanone (CID 167645780) is 2-cyclopropyl-1-[4-[7-[2-[2,2-difluoroethyl(methyl)amino]ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]ethanone.

What is the SMILES notation for 2-cyclopropyl-1-[4-[7-[2-[2,2-difluoroethyl(methyl)amino]ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]ethanone?

The canonical SMILES for 2-cyclopropyl-1-[4-[7-[2-[2,2-difluoroethyl(methyl)amino]ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]ethanone is COc1cc(-c2cnc3cc(OCCN(C)CC(F)F)ccn23)cc(OC(F)F)c1C(=O)CC1CC1.

What is the InChIKey of 2-cyclopropyl-1-[4-[7-[2-[2,2-difluoroethyl(methyl)amino]ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]ethanone?

The InChIKey is PVSHTYAHYQYACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F4N3O4/c1-31(14-22(26)27)7-8-35-17-5-6-32-18(13-30-23(32)12-17)16-10-20(34-2)24(19(33)9-15-3-4-15)21(11-16)36-25(28)29/h5-6,10-13,15,22,25H,3-4,7-9,14H2,1-2H3.

What are the key properties of 2-cyclopropyl-1-[4-[7-[2-[2,2-difluoroethyl(methyl)amino]ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]ethanone?

2-cyclopropyl-1-[4-[7-[2-[2,2-difluoroethyl(methyl)amino]ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]ethanone has a molecular weight of 509.50 g/mol, XLogP of 5.17, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-1-[4-[7-[2-[2,2-difluoroethyl(methyl)amino]ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]ethanone is sourced from PubChem (CID 167645780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).