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

C26H24F4N4O3 — CID 66555292

IUPAC4-[6-(3-fluoro-4-methoxyphenoxy)-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)c(F)c4)cn23)cc1C
InChIInChI=1S/C26H24F4N4O3/c1-15-10-16(4-6-19(15)25(35)31-2)22-13-33-24-21(32-9-8-26(28,29)30)12-18(14-34(22)24)37-17-5-7-23(36-3)20(27)11-17/h4-7,10-14,32H,8-9H2,1-3H3,(H,31,35)
InChIKeyHLQDRWJXFPTRLM-UHFFFAOYSA-N
MW516.50 g/mol
LogP5.97
Rot. Bonds8

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

4-[6-(3-fluoro-4-methoxyphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide (PubChem CID 66555292) has the molecular formula C26H24F4N4O3 and a molecular weight of 516.50 g/mol. Its IUPAC name is 4-[6-(3-fluoro-4-methoxyphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide.

Molecular Properties

Compound Name4-[6-(3-fluoro-4-methoxyphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide
PubChem CID66555292
Molecular FormulaC26H24F4N4O3
Molecular Weight516.50 g/mol
Exact Mass516.18
IUPAC Name4-[6-(3-fluoro-4-methoxyphenoxy)-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)c(F)c4)cn23)cc1C
InChIInChI=1S/C26H24F4N4O3/c1-15-10-16(4-6-19(15)25(35)31-2)22-13-33-24-21(32-9-8-26(28,29)30)12-18(14-34(22)24)37-17-5-7-23(36-3)20(27)11-17/h4-7,10-14,32H,8-9H2,1-3H3,(H,31,35)
InChIKeyHLQDRWJXFPTRLM-UHFFFAOYSA-N
XLogP5.97
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.50
LogP ≤ 55.97
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-methoxyphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide?
The IUPAC name of 4-[6-(3-fluoro-4-methoxyphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide (CID 66555292) is 4-[6-(3-fluoro-4-methoxyphenoxy)-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-methoxyphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide?
The canonical SMILES for 4-[6-(3-fluoro-4-methoxyphenoxy)-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)c(F)c4)cn23)cc1C.
What is the InChIKey of 4-[6-(3-fluoro-4-methoxyphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide?
The InChIKey is HLQDRWJXFPTRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F4N4O3/c1-15-10-16(4-6-19(15)25(35)31-2)22-13-33-24-21(32-9-8-26(28,29)30)12-18(14-34(22)24)37-17-5-7-23(36-3)20(27)11-17/h4-7,10-14,32H,8-9H2,1-3H3,(H,31,35).
What are the key properties of 4-[6-(3-fluoro-4-methoxyphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide?
4-[6-(3-fluoro-4-methoxyphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide has a molecular weight of 516.50 g/mol, XLogP of 5.97, 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-methoxyphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylbenzamide is sourced from PubChem (CID 66555292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).