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

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

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

Launch Full Analysis

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).