4-[6-(5-fluoro-2-methylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide

C26H24F4N4O2 — CID 66555977

IUPAC4-[6-(5-fluoro-2-methylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide
SMILESCNC(=O)c1ccc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4cc(F)ccc4C)cn23)cc1C
InChIInChI=1S/C26H24F4N4O2/c1-15-4-6-18(27)11-23(15)36-19-12-21(32-9-8-26(28,29)30)24-33-13-22(34(24)14-19)17-5-7-20(16(2)10-17)25(35)31-3/h4-7,10-14,32H,8-9H2,1-3H3,(H,31,35)
InChIKeyPXJXCVNTIHRRGG-UHFFFAOYSA-N
MW500.50 g/mol
LogP6.27
Rot. Bonds7

About 4-[6-(5-fluoro-2-methylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide

4-[6-(5-fluoro-2-methylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide (PubChem CID 66555977) has the molecular formula C26H24F4N4O2 and a molecular weight of 500.50 g/mol. Its IUPAC name is 4-[6-(5-fluoro-2-methylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide.

Molecular Properties

Compound Name4-[6-(5-fluoro-2-methylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide
PubChem CID66555977
Molecular FormulaC26H24F4N4O2
Molecular Weight500.50 g/mol
Exact Mass500.18
IUPAC Name4-[6-(5-fluoro-2-methylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide
SMILESCNC(=O)c1ccc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4cc(F)ccc4C)cn23)cc1C
InChIInChI=1S/C26H24F4N4O2/c1-15-4-6-18(27)11-23(15)36-19-12-21(32-9-8-26(28,29)30)24-33-13-22(34(24)14-19)17-5-7-20(16(2)10-17)25(35)31-3/h4-7,10-14,32H,8-9H2,1-3H3,(H,31,35)
InChIKeyPXJXCVNTIHRRGG-UHFFFAOYSA-N
XLogP6.27
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.50
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(5-fluoro-2-methylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide?
The IUPAC name of 4-[6-(5-fluoro-2-methylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide (CID 66555977) is 4-[6-(5-fluoro-2-methylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide.
What is the SMILES notation for 4-[6-(5-fluoro-2-methylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide?
The canonical SMILES for 4-[6-(5-fluoro-2-methylphenoxy)-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(Oc4cc(F)ccc4C)cn23)cc1C.
What is the InChIKey of 4-[6-(5-fluoro-2-methylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide?
The InChIKey is PXJXCVNTIHRRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F4N4O2/c1-15-4-6-18(27)11-23(15)36-19-12-21(32-9-8-26(28,29)30)24-33-13-22(34(24)14-19)17-5-7-20(16(2)10-17)25(35)31-3/h4-7,10-14,32H,8-9H2,1-3H3,(H,31,35).
What are the key properties of 4-[6-(5-fluoro-2-methylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide?
4-[6-(5-fluoro-2-methylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide has a molecular weight of 500.50 g/mol, XLogP of 6.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(5-fluoro-2-methylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide is sourced from PubChem (CID 66555977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).