1-[2-(4-fluorophenyl)-2-hydroxyethyl]-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one

C19H15FN4O2 — CID 22048092

IUPAC1-[2-(4-fluorophenyl)-2-hydroxyethyl]-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one
SMILESO=c1cc(-c2ccncc2)nc2n(CC(O)c3ccc(F)cc3)ccn12
InChIInChI=1S/C19H15FN4O2/c20-15-3-1-14(2-4-15)17(25)12-23-9-10-24-18(26)11-16(22-19(23)24)13-5-7-21-8-6-13/h1-11,17,25H,12H2
InChIKeyJCIBTPGJIXJGEK-UHFFFAOYSA-N
MW350.35 g/mol
LogP2.43
Rot. Bonds4

About 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one

1-[2-(4-fluorophenyl)-2-hydroxyethyl]-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one (PubChem CID 22048092) has the molecular formula C19H15FN4O2 and a molecular weight of 350.35 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-2-hydroxyethyl]-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one
PubChem CID22048092
Molecular FormulaC19H15FN4O2
Molecular Weight350.35 g/mol
Exact Mass350.12
IUPAC Name1-[2-(4-fluorophenyl)-2-hydroxyethyl]-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one
SMILESO=c1cc(-c2ccncc2)nc2n(CC(O)c3ccc(F)cc3)ccn12
InChIInChI=1S/C19H15FN4O2/c20-15-3-1-14(2-4-15)17(25)12-23-9-10-24-18(26)11-16(22-19(23)24)13-5-7-21-8-6-13/h1-11,17,25H,12H2
InChIKeyJCIBTPGJIXJGEK-UHFFFAOYSA-N
XLogP2.43
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(4-fluorophenyl)-2-oxoethyl]-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one
CID 22048099
2-(4-fluorophenyl)-5-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 99743921
1-(2-phenylsulfanylethyl)-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one
CID 10291420
2-(4-fluorophenyl)-5-[2-hydroxy-2-(4-methylphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 91889183
7-pyridin-4-yl-1-[3-[4-(trifluoromethyl)phenyl]propyl]imidazo[1,2-a]pyrimidin-5-one
CID 10222503
1-[2-(4-fluorophenyl)ethyl]-7-pyrimidin-4-ylimidazo[1,2-a]pyrimidin-5-one
CID 10125854
2-(4-fluorophenyl)-5-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 91889207
1-[2-(4-fluorophenyl)-2-oxoethyl]-7-pyridin-4-yl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one
CID 22268178
1-(4-fluorophenyl)-2-(7-pyridin-4-yl-5H-imidazo[1,2-a]pyrimidin-1-yl)ethanol
CID 70013246
5-[(2R)-2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 99743797
2-(3-bromophenyl)-5-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 125126789
1-(4-fluorophenyl)-2-(4-pyridin-4-ylphenyl)ethanol
CID 67902820

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one (CID 22048092) is 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one is O=c1cc(-c2ccncc2)nc2n(CC(O)c3ccc(F)cc3)ccn12.
What is the InChIKey of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one?
The InChIKey is JCIBTPGJIXJGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2/c20-15-3-1-14(2-4-15)17(25)12-23-9-10-24-18(26)11-16(22-19(23)24)13-5-7-21-8-6-13/h1-11,17,25H,12H2.
What are the key properties of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one?
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one has a molecular weight of 350.35 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 22048092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).