1-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyrimidin-2-one

C22H17FN4O2 — CID 67959177

IUPAC1-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyrimidin-2-one
SMILESO=c1ncccn1C(c1ccc(F)cc1)C(O)(c1cccnc1)c1cccnc1
InChIInChI=1S/C22H17FN4O2/c23-19-8-6-16(7-9-19)20(27-13-3-12-26-21(27)28)22(29,17-4-1-10-24-14-17)18-5-2-11-25-15-18/h1-15,20,29H
InChIKeyZIOFKFOGVOTKFX-UHFFFAOYSA-N
MW388.40 g/mol
LogP2.70
Rot. Bonds5

About 1-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyrimidin-2-one

1-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyrimidin-2-one (PubChem CID 67959177) has the molecular formula C22H17FN4O2 and a molecular weight of 388.40 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyrimidin-2-one
PubChem CID67959177
Molecular FormulaC22H17FN4O2
Molecular Weight388.40 g/mol
Exact Mass388.13
IUPAC Name1-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyrimidin-2-one
SMILESO=c1ncccn1C(c1ccc(F)cc1)C(O)(c1cccnc1)c1cccnc1
InChIInChI=1S/C22H17FN4O2/c23-19-8-6-16(7-9-19)20(27-13-3-12-26-21(27)28)22(29,17-4-1-10-24-14-17)18-5-2-11-25-15-18/h1-15,20,29H
InChIKeyZIOFKFOGVOTKFX-UHFFFAOYSA-N
XLogP2.70
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Pirmenol
CID 65502
1-Benzhydryl-4-(pyridin-2-yl)piperidin-4-ol
CID 10427620
2-Morpholino-2-phenyl-1,1-di(pyridin-3-yl)ethanol
CID 11710246
(S)-3-((S)-1-(4-(5-fluoropyridin-2-yl)phenyl)ethyl)-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one
CID 44625911
(4R,5S,6S,7R)-5,6-dihydroxy-1,3-bis[[4-(hydroxymethyl)phenyl]methyl]-4,7-bis(4-pyridylmethyl)-1,3-diazepan-2-one
CID 462355
2-Morpholino-1,1-di(pyridin-3-yl)hexan-1-ol
CID 11588169
2-Morpholino-1,1-di(pyridin-3-yl)octan-1-ol
CID 11646379
2-Phenyl-1,1-di(pyridin-3-yl)ethanol
CID 46885546
N-(2,6-Dimethylphenyl)-3-hydroxy-3-(pyridin-3-YL)-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 3230875
2-Phenyl-1,1-di(pyridin-3-yl)-2-(pyrrolidin-1-yl)ethanol
CID 11573765
2-Phenyl-2-(piperidin-1-yl)-1,1-di(pyridin-3-yl)ethanol
CID 11595633
2-(1,4-Oxazepan-4-yl)-2-phenyl-1,1-di(pyridin-3-yl)ethanol
CID 11610483

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyrimidin-2-one?
The IUPAC name of 1-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyrimidin-2-one (CID 67959177) is 1-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyrimidin-2-one.
What is the SMILES notation for 1-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyrimidin-2-one?
The canonical SMILES for 1-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyrimidin-2-one is O=c1ncccn1C(c1ccc(F)cc1)C(O)(c1cccnc1)c1cccnc1.
What is the InChIKey of 1-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyrimidin-2-one?
The InChIKey is ZIOFKFOGVOTKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2/c23-19-8-6-16(7-9-19)20(27-13-3-12-26-21(27)28)22(29,17-4-1-10-24-14-17)18-5-2-11-25-15-18/h1-15,20,29H.
What are the key properties of 1-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyrimidin-2-one?
1-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyrimidin-2-one has a molecular weight of 388.40 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyrimidin-2-one is sourced from PubChem (CID 67959177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).