1-[2-[2-fluoro-5-[3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazin-7-yl]phenyl]phenyl]ethanone

C20H12F4N4O — CID 10200976

IUPAC1-[2-[2-fluoro-5-[3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazin-7-yl]phenyl]phenyl]ethanone
SMILESCC(=O)c1ccccc1-c1cc(-c2cnc3nc(C(F)(F)F)cnn23)ccc1F
InChIInChI=1S/C20H12F4N4O/c1-11(29)13-4-2-3-5-14(13)15-8-12(6-7-16(15)21)17-9-25-19-27-18(20(22,23)24)10-26-28(17)19/h2-10H,1H3
InChIKeyKCFMYXMZEBQIDK-UHFFFAOYSA-N
MW400.34 g/mol
LogP4.82
Rot. Bonds3

About 1-[2-[2-fluoro-5-[3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazin-7-yl]phenyl]phenyl]ethanone

1-[2-[2-fluoro-5-[3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazin-7-yl]phenyl]phenyl]ethanone (PubChem CID 10200976) has the molecular formula C20H12F4N4O and a molecular weight of 400.34 g/mol. Its IUPAC name is 1-[2-[2-fluoro-5-[3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazin-7-yl]phenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[2-fluoro-5-[3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazin-7-yl]phenyl]phenyl]ethanone
PubChem CID10200976
Molecular FormulaC20H12F4N4O
Molecular Weight400.34 g/mol
Exact Mass400.09
IUPAC Name1-[2-[2-fluoro-5-[3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazin-7-yl]phenyl]phenyl]ethanone
SMILESCC(=O)c1ccccc1-c1cc(-c2cnc3nc(C(F)(F)F)cnn23)ccc1F
InChIInChI=1S/C20H12F4N4O/c1-11(29)13-4-2-3-5-14(13)15-8-12(6-7-16(15)21)17-9-25-19-27-18(20(22,23)24)10-26-28(17)19/h2-10H,1H3
InChIKeyKCFMYXMZEBQIDK-UHFFFAOYSA-N
XLogP4.82
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.34
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-fluoro-5-[3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazin-7-yl]phenyl] trifluoromethanesulfonate
CID 57438077
2-[7-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]imidazo[1,2-b][1,2,4]triazin-3-yl]propan-2-ol
CID 10133554
7-(3-bromo-4-methylphenyl)-3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazine
CID 22240107
7-(4-methyl-3-nitrophenyl)-3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazine
CID 22240094
7-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]imidazo[1,2-b][1,2,4]triazine
CID 50914114
3-[4-fluoro-3-(2-methylsulfonylphenyl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 10160106
7-(3-thiophen-2-ylphenyl)-3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazine
CID 10269117
3,5-difluoro-2-[2-fluoro-5-[3-(2-hydroxypropan-2-yl)imidazo[1,2-b][1,2,4]triazin-7-yl]phenyl]benzonitrile
CID 11524362
3-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 10199517
1-[2-(4-fluoro-3-methylphenyl)phenyl]ethanone
CID 54912273
5-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]-1H-pyridin-2-one
CID 10177390
3-(4-fluoro-3-pyridazin-3-ylphenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 10133066

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-fluoro-5-[3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazin-7-yl]phenyl]phenyl]ethanone?
The IUPAC name of 1-[2-[2-fluoro-5-[3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazin-7-yl]phenyl]phenyl]ethanone (CID 10200976) is 1-[2-[2-fluoro-5-[3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazin-7-yl]phenyl]phenyl]ethanone.
What is the SMILES notation for 1-[2-[2-fluoro-5-[3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazin-7-yl]phenyl]phenyl]ethanone?
The canonical SMILES for 1-[2-[2-fluoro-5-[3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazin-7-yl]phenyl]phenyl]ethanone is CC(=O)c1ccccc1-c1cc(-c2cnc3nc(C(F)(F)F)cnn23)ccc1F.
What is the InChIKey of 1-[2-[2-fluoro-5-[3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazin-7-yl]phenyl]phenyl]ethanone?
The InChIKey is KCFMYXMZEBQIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F4N4O/c1-11(29)13-4-2-3-5-14(13)15-8-12(6-7-16(15)21)17-9-25-19-27-18(20(22,23)24)10-26-28(17)19/h2-10H,1H3.
What are the key properties of 1-[2-[2-fluoro-5-[3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazin-7-yl]phenyl]phenyl]ethanone?
1-[2-[2-fluoro-5-[3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazin-7-yl]phenyl]phenyl]ethanone has a molecular weight of 400.34 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-fluoro-5-[3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazin-7-yl]phenyl]phenyl]ethanone is sourced from PubChem (CID 10200976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).