2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one

C20H14FN3O4 — CID 3820161

IUPAC2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one
SMILESCc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)C2c2ccccc2F)o1
InChIInChI=1S/C20H14FN3O4/c1-11-7-8-14(28-11)17(25)15-16(12-5-2-3-6-13(12)21)24(19(27)18(15)26)20-22-9-4-10-23-20/h2-10,16,26H,1H3
InChIKeyHIDRFUCJPXJTJT-UHFFFAOYSA-N
MW379.35 g/mol
LogP3.30
Rot. Bonds4

About 2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one

2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one (PubChem CID 3820161) has the molecular formula C20H14FN3O4 and a molecular weight of 379.35 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one
PubChem CID3820161
Molecular FormulaC20H14FN3O4
Molecular Weight379.35 g/mol
Exact Mass379.10
IUPAC Name2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one
SMILESCc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)C2c2ccccc2F)o1
InChIInChI=1S/C20H14FN3O4/c1-11-7-8-14(28-11)17(25)15-16(12-5-2-3-6-13(12)21)24(19(27)18(15)26)20-22-9-4-10-23-20/h2-10,16,26H,1H3
InChIKeyHIDRFUCJPXJTJT-UHFFFAOYSA-N
XLogP3.30
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-pyrimidin-2-yl-2H-pyrrol-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

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one?
The IUPAC name of 2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one (CID 3820161) is 2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one is Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)C2c2ccccc2F)o1.
What is the InChIKey of 2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one?
The InChIKey is HIDRFUCJPXJTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O4/c1-11-7-8-14(28-11)17(25)15-16(12-5-2-3-6-13(12)21)24(19(27)18(15)26)20-22-9-4-10-23-20/h2-10,16,26H,1H3.
What are the key properties of 2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one?
2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one has a molecular weight of 379.35 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 3820161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).