N-ethyl-4-[6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide

C27H23F7N4O3 — CID 66554949

About N-ethyl-4-[6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide

N-ethyl-4-[6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide (PubChem CID 66554949) has the molecular formula C27H23F7N4O3 and a molecular weight of 584.49 g/mol. Its IUPAC name is N-ethyl-4-[6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide.

Molecular Properties

• Compound Name: N-ethyl-4-[6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide
• PubChem CID: 66554949
• Molecular Formula: C27H23F7N4O3
• Molecular Weight: 584.49 g/mol
• Exact Mass: 584.17
• IUPAC Name: N-ethyl-4-[6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide
• SMILES: CCNC(=O)c1ccc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4ccc(OC(F)(F)F)c(F)c4)cn23)cc1C
• InChI: InChI=1S/C27H23F7N4O3/c1-3-35-25(39)19-6-4-16(10-15(19)2)22-13-37-24-21(36-9-8-26(29,30)31)12-18(14-38(22)24)40-17-5-7-23(20(28)11-17)41-27(32,33)34/h4-7,10-14,36H,3,8-9H2,1-2H3,(H,35,39)
• InChIKey: JSRFUGGWHZNYGZ-UHFFFAOYSA-N
• XLogP: 7.25
• TPSA: 76.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	584.49
LogP ≤ 5	7.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide?

The IUPAC name of N-ethyl-4-[6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide (CID 66554949) is N-ethyl-4-[6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide.

What is the SMILES notation for N-ethyl-4-[6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide?

The canonical SMILES for N-ethyl-4-[6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide is CCNC(=O)c1ccc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4ccc(OC(F)(F)F)c(F)c4)cn23)cc1C.

What is the InChIKey of N-ethyl-4-[6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide?

The InChIKey is JSRFUGGWHZNYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F7N4O3/c1-3-35-25(39)19-6-4-16(10-15(19)2)22-13-37-24-21(36-9-8-26(29,30)31)12-18(14-38(22)24)40-17-5-7-23(20(28)11-17)41-27(32,33)34/h4-7,10-14,36H,3,8-9H2,1-2H3,(H,35,39).

What are the key properties of N-ethyl-4-[6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide?

N-ethyl-4-[6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide has a molecular weight of 584.49 g/mol, XLogP of 7.25, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-4-[6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide is sourced from PubChem (CID 66554949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).