2-[3-(4-fluorophenyl)propanoyl]-3-hydroxy-7-phenyl-6H-pyrrolo[1,2-a]pyrimidin-4-one

C22H17FN2O3 — CID 58101143

IUPAC2-[3-(4-fluorophenyl)propanoyl]-3-hydroxy-7-phenyl-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESO=C(CCc1ccc(F)cc1)c1nc2n(c(=O)c1O)CC(c1ccccc1)=C2
InChIInChI=1S/C22H17FN2O3/c23-17-9-6-14(7-10-17)8-11-18(26)20-21(27)22(28)25-13-16(12-19(25)24-20)15-4-2-1-3-5-15/h1-7,9-10,12,27H,8,11,13H2
InChIKeyFKMAKZKZBGSHPU-UHFFFAOYSA-N
MW376.39 g/mol
LogP3.46
Rot. Bonds5

About 2-[3-(4-fluorophenyl)propanoyl]-3-hydroxy-7-phenyl-6H-pyrrolo[1,2-a]pyrimidin-4-one

2-[3-(4-fluorophenyl)propanoyl]-3-hydroxy-7-phenyl-6H-pyrrolo[1,2-a]pyrimidin-4-one (PubChem CID 58101143) has the molecular formula C22H17FN2O3 and a molecular weight of 376.39 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)propanoyl]-3-hydroxy-7-phenyl-6H-pyrrolo[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)propanoyl]-3-hydroxy-7-phenyl-6H-pyrrolo[1,2-a]pyrimidin-4-one
PubChem CID58101143
Molecular FormulaC22H17FN2O3
Molecular Weight376.39 g/mol
Exact Mass376.12
IUPAC Name2-[3-(4-fluorophenyl)propanoyl]-3-hydroxy-7-phenyl-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESO=C(CCc1ccc(F)cc1)c1nc2n(c(=O)c1O)CC(c1ccccc1)=C2
InChIInChI=1S/C22H17FN2O3/c23-17-9-6-14(7-10-17)8-11-18(26)20-21(27)22(28)25-13-16(12-19(25)24-20)15-4-2-1-3-5-15/h1-7,9-10,12,27H,8,11,13H2
InChIKeyFKMAKZKZBGSHPU-UHFFFAOYSA-N
XLogP3.46
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-(4-fluorophenyl)propanoyl]-3-hydroxy-7-phenyl-6H-pyrrolo[1,2-a]pyrimidin-4-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 2-[3-(4-fluorophenyl)propanoyl]-3-hydroxy-7-phenyl-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[3-(4-fluorophenyl)propanoyl]-3-hydroxy-7-phenyl-6H-pyrrolo[1,2-a]pyrimidin-4-one (CID 58101143) is 2-[3-(4-fluorophenyl)propanoyl]-3-hydroxy-7-phenyl-6H-pyrrolo[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[3-(4-fluorophenyl)propanoyl]-3-hydroxy-7-phenyl-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[3-(4-fluorophenyl)propanoyl]-3-hydroxy-7-phenyl-6H-pyrrolo[1,2-a]pyrimidin-4-one is O=C(CCc1ccc(F)cc1)c1nc2n(c(=O)c1O)CC(c1ccccc1)=C2.
What is the InChIKey of 2-[3-(4-fluorophenyl)propanoyl]-3-hydroxy-7-phenyl-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The InChIKey is FKMAKZKZBGSHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O3/c23-17-9-6-14(7-10-17)8-11-18(26)20-21(27)22(28)25-13-16(12-19(25)24-20)15-4-2-1-3-5-15/h1-7,9-10,12,27H,8,11,13H2.
What are the key properties of 2-[3-(4-fluorophenyl)propanoyl]-3-hydroxy-7-phenyl-6H-pyrrolo[1,2-a]pyrimidin-4-one?
2-[3-(4-fluorophenyl)propanoyl]-3-hydroxy-7-phenyl-6H-pyrrolo[1,2-a]pyrimidin-4-one has a molecular weight of 376.39 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)propanoyl]-3-hydroxy-7-phenyl-6H-pyrrolo[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 58101143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).