3-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one

C17H15FN2O3 — CID 135993375

IUPAC3-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one
SMILESCN1CC(c2ccc(OCc3ccc(F)cc3)cn2)=C(O)C1=O
InChIInChI=1S/C17H15FN2O3/c1-20-9-14(16(21)17(20)22)15-7-6-13(8-19-15)23-10-11-2-4-12(18)5-3-11/h2-8,21H,9-10H2,1H3
InChIKeyFOFPXEZNSZJUKG-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.54
Rot. Bonds4

About 3-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one

3-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one (PubChem CID 135993375) has the molecular formula C17H15FN2O3 and a molecular weight of 314.32 g/mol. Its IUPAC name is 3-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one
PubChem CID135993375
Molecular FormulaC17H15FN2O3
Molecular Weight314.32 g/mol
Exact Mass314.11
IUPAC Name3-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one
SMILESCN1CC(c2ccc(OCc3ccc(F)cc3)cn2)=C(O)C1=O
InChIInChI=1S/C17H15FN2O3/c1-20-9-14(16(21)17(20)22)15-7-6-13(8-19-15)23-10-11-2-4-12(18)5-3-11/h2-8,21H,9-10H2,1H3
InChIKeyFOFPXEZNSZJUKG-UHFFFAOYSA-N
XLogP2.54
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one?
The IUPAC name of 3-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one (CID 135993375) is 3-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 3-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one?
The canonical SMILES for 3-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one is CN1CC(c2ccc(OCc3ccc(F)cc3)cn2)=C(O)C1=O.
What is the InChIKey of 3-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one?
The InChIKey is FOFPXEZNSZJUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3/c1-20-9-14(16(21)17(20)22)15-7-6-13(8-19-15)23-10-11-2-4-12(18)5-3-11/h2-8,21H,9-10H2,1H3.
What are the key properties of 3-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one?
3-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one has a molecular weight of 314.32 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 135993375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).