5-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]-1H-pyridin-2-one

C18H10F4N4O — CID 10177390

IUPAC5-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]-1H-pyridin-2-one
SMILESO=c1ccc(-c2cc(-c3cnc4nc(C(F)(F)F)ccn34)ccc2F)c[nH]1
InChIInChI=1S/C18H10F4N4O/c19-13-3-1-10(7-12(13)11-2-4-16(27)23-8-11)14-9-24-17-25-15(18(20,21)22)5-6-26(14)17/h1-9H,(H,23,27)
InChIKeyCTVIHIXDBLFQQO-UHFFFAOYSA-N
MW374.30 g/mol
LogP3.91
Rot. Bonds2

About 5-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]-1H-pyridin-2-one

5-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]-1H-pyridin-2-one (PubChem CID 10177390) has the molecular formula C18H10F4N4O and a molecular weight of 374.30 g/mol. Its IUPAC name is 5-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]-1H-pyridin-2-one
PubChem CID10177390
Molecular FormulaC18H10F4N4O
Molecular Weight374.30 g/mol
Exact Mass374.08
IUPAC Name5-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]-1H-pyridin-2-one
SMILESO=c1ccc(-c2cc(-c3cnc4nc(C(F)(F)F)ccn34)ccc2F)c[nH]1
InChIInChI=1S/C18H10F4N4O/c19-13-3-1-10(7-12(13)11-2-4-16(27)23-8-11)14-9-24-17-25-15(18(20,21)22)5-6-26(14)17/h1-9H,(H,23,27)
InChIKeyCTVIHIXDBLFQQO-UHFFFAOYSA-N
XLogP3.91
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.30
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]-1H-pyridin-2-one?
The IUPAC name of 5-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]-1H-pyridin-2-one (CID 10177390) is 5-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]-1H-pyridin-2-one is O=c1ccc(-c2cc(-c3cnc4nc(C(F)(F)F)ccn34)ccc2F)c[nH]1.
What is the InChIKey of 5-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]-1H-pyridin-2-one?
The InChIKey is CTVIHIXDBLFQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F4N4O/c19-13-3-1-10(7-12(13)11-2-4-16(27)23-8-11)14-9-24-17-25-15(18(20,21)22)5-6-26(14)17/h1-9H,(H,23,27).
What are the key properties of 5-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]-1H-pyridin-2-one?
5-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]-1H-pyridin-2-one has a molecular weight of 374.30 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 10177390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).