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

C19H13FN4O2 — CID 22048099

IUPAC1-[2-(4-fluorophenyl)-2-oxoethyl]-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one
SMILESO=C(Cn1ccn2c(=O)cc(-c3ccncc3)nc12)c1ccc(F)cc1
InChIInChI=1S/C19H13FN4O2/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/h1-11H,12H2
InChIKeyXKEKNKFWFAVOFJ-UHFFFAOYSA-N
MW348.34 g/mol
LogP2.58
Rot. Bonds4

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

1-[2-(4-fluorophenyl)-2-oxoethyl]-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one (PubChem CID 22048099) has the molecular formula C19H13FN4O2 and a molecular weight of 348.34 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-2-oxoethyl]-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-2-oxoethyl]-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one
PubChem CID22048099
Molecular FormulaC19H13FN4O2
Molecular Weight348.34 g/mol
Exact Mass348.10
IUPAC Name1-[2-(4-fluorophenyl)-2-oxoethyl]-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one
SMILESO=C(Cn1ccn2c(=O)cc(-c3ccncc3)nc12)c1ccc(F)cc1
InChIInChI=1S/C19H13FN4O2/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/h1-11H,12H2
InChIKeyXKEKNKFWFAVOFJ-UHFFFAOYSA-N
XLogP2.58
TPSA69.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-(4-fluorophenyl)-2-oxoethyl]-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-fluorophenyl)-2-hydroxyethyl]-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one
CID 22048092
1-[2-(4-fluorophenyl)-2-oxoethyl]-7-pyridin-4-yl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one
CID 22268178
1-[2-(4-fluorophenyl)ethyl]-7-pyrimidin-4-ylimidazo[1,2-a]pyrimidin-5-one
CID 10125854
7-pyridin-4-yl-1-[3-[4-(trifluoromethyl)phenyl]propyl]imidazo[1,2-a]pyrimidin-5-one
CID 10222503
1-(2-phenylsulfanylethyl)-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one
CID 10291420
9-[2-(3-fluorophenyl)-2-oxoethyl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 22268189
2,2-dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-7-pyridin-4-yl-3H-imidazo[1,2-a]pyrimidin-5-one
CID 69224916
N-(4-fluorophenyl)-2-(4-oxo-2-pyridin-4-ylpyrimido[1,2-a]benzimidazol-10-yl)acetamide
CID 45031670
2,2-dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-8-pyridin-4-yl-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one
CID 10134871
9-[2-(4-fluorophenyl)-2-oxoethyl]-7,7-dimethyl-2-pyrimidin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one
CID 10200578
1-[2-(4-fluorophenyl)-2-oxoethyl]-2,2-dimethyl-8-pyrimidin-4-yl-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one
CID 68694588
1-phenacyl-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,1'-cyclopentane]-6-one
CID 10001055

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-2-oxoethyl]-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 1-[2-(4-fluorophenyl)-2-oxoethyl]-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one (CID 22048099) is 1-[2-(4-fluorophenyl)-2-oxoethyl]-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-2-oxoethyl]-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 1-[2-(4-fluorophenyl)-2-oxoethyl]-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one is O=C(Cn1ccn2c(=O)cc(-c3ccncc3)nc12)c1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-2-oxoethyl]-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one?
The InChIKey is XKEKNKFWFAVOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O2/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/h1-11H,12H2.
What are the key properties of 1-[2-(4-fluorophenyl)-2-oxoethyl]-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one?
1-[2-(4-fluorophenyl)-2-oxoethyl]-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one has a molecular weight of 348.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-2-oxoethyl]-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 22048099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).