JSRFUGGWHZNYGZ-UHFFFAOYSA-N

Name: JSRFUGGWHZNYGZ-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₇H₂₃F₇N₄O₃ — CID 66554949

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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

SMILESCCNC(=O)c1ccc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4ccc(OC(F)(F)F)c(F)c4)cn23)cc1C

InChIInChI=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)

InChIKeyJSRFUGGWHZNYGZ-UHFFFAOYSA-N

MW584.49 g/mol

LogP7.25

Rot. Bonds9

About JSRFUGGWHZNYGZ-UHFFFAOYSA-N

JSRFUGGWHZNYGZ-UHFFFAOYSA-N (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	JSRFUGGWHZNYGZ-UHFFFAOYSA-N
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 Å²
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 JSRFUGGWHZNYGZ-UHFFFAOYSA-N?

The IUPAC name of JSRFUGGWHZNYGZ-UHFFFAOYSA-N (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 JSRFUGGWHZNYGZ-UHFFFAOYSA-N?

The canonical SMILES for JSRFUGGWHZNYGZ-UHFFFAOYSA-N 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 JSRFUGGWHZNYGZ-UHFFFAOYSA-N?

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 JSRFUGGWHZNYGZ-UHFFFAOYSA-N?

JSRFUGGWHZNYGZ-UHFFFAOYSA-N 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 JSRFUGGWHZNYGZ-UHFFFAOYSA-N is sourced from PubChem (CID 66554949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 66554949 — identifiers, structure, computed properties (public domain)

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