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

C26H21F7N4O3 — CID 66554779

IUPAC4-[6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide
SMILESCNC(=O)c1ccc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4ccc(OC(F)(F)F)c(F)c4)cn23)cc1C
InChIInChI=1S/C26H21F7N4O3/c1-14-9-15(3-5-18(14)24(38)34-2)21-12-36-23-20(35-8-7-25(28,29)30)11-17(13-37(21)23)39-16-4-6-22(19(27)10-16)40-26(31,32)33/h3-6,9-13,35H,7-8H2,1-2H3,(H,34,38)
InChIKeyUFUXZJIIJGIFSO-UHFFFAOYSA-N
MW570.47 g/mol
LogP6.86
Rot. Bonds8

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

4-[6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide (PubChem CID 66554779) has the molecular formula C26H21F7N4O3 and a molecular weight of 570.47 g/mol. Its IUPAC name is 4-[6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide.

Molecular Properties

Compound Name4-[6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide
PubChem CID66554779
Molecular FormulaC26H21F7N4O3
Molecular Weight570.47 g/mol
Exact Mass570.15
IUPAC Name4-[6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide
SMILESCNC(=O)c1ccc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4ccc(OC(F)(F)F)c(F)c4)cn23)cc1C
InChIInChI=1S/C26H21F7N4O3/c1-14-9-15(3-5-18(14)24(38)34-2)21-12-36-23-20(35-8-7-25(28,29)30)11-17(13-37(21)23)39-16-4-6-22(19(27)10-16)40-26(31,32)33/h3-6,9-13,35H,7-8H2,1-2H3,(H,34,38)
InChIKeyUFUXZJIIJGIFSO-UHFFFAOYSA-N
XLogP6.86
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.47
LogP ≤ 56.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide?
The IUPAC name of 4-[6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide (CID 66554779) is 4-[6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide.
What is the SMILES notation for 4-[6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide?
The canonical SMILES for 4-[6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide is CNC(=O)c1ccc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4ccc(OC(F)(F)F)c(F)c4)cn23)cc1C.
What is the InChIKey of 4-[6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide?
The InChIKey is UFUXZJIIJGIFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F7N4O3/c1-14-9-15(3-5-18(14)24(38)34-2)21-12-36-23-20(35-8-7-25(28,29)30)11-17(13-37(21)23)39-16-4-6-22(19(27)10-16)40-26(31,32)33/h3-6,9-13,35H,7-8H2,1-2H3,(H,34,38).
What are the key properties of 4-[6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide?
4-[6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide has a molecular weight of 570.47 g/mol, XLogP of 6.86, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide is sourced from PubChem (CID 66554779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).