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

C20H14FN3O4 — CID 3709623

IUPAC2-(4-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)C2c2ccc(F)cc2)o1
InChIInChI=1S/C20H14FN3O4/c1-11-3-8-14(28-11)17(25)15-16(12-4-6-13(21)7-5-12)24(19(27)18(15)26)20-22-9-2-10-23-20/h2-10,16,26H,1H3
InChIKeyLOBJFYNPGDUUKX-UHFFFAOYSA-N
MW379.35 g/mol
LogP3.30
Rot. Bonds4

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

2-(4-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one (PubChem CID 3709623) has the molecular formula C20H14FN3O4 and a molecular weight of 379.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one
PubChem CID3709623
Molecular FormulaC20H14FN3O4
Molecular Weight379.35 g/mol
Exact Mass379.10
IUPAC Name2-(4-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)C2c2ccc(F)cc2)o1
InChIInChI=1S/C20H14FN3O4/c1-11-3-8-14(28-11)17(25)15-16(12-4-6-13(21)7-5-12)24(19(27)18(15)26)20-22-9-2-10-23-20/h2-10,16,26H,1H3
InChIKeyLOBJFYNPGDUUKX-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-(4-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

Related Compounds

(E)-furan-2-yl[2-(4-methylphenyl)-4,5-dioxo-1-(pyrimidin-1-ium-2-yl)pyrrolidin-3-ylidene]methanolate
CID 3704657
3-Hydroxy-4-(5-methyl-2-furoyl)-5-(3-phenoxyphenyl)-1-(3-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2911077
3-Hydroxy-5-(4-methoxyphenyl)-4-(5-methyl-2-furoyl)-1-(3-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2913061
(E)-[2-(2-fluorophenyl)-4,5-dioxo-1-(pyrimidin-1-ium-2-yl)pyrrolidin-3-ylidene](5-methylfuran-2-yl)methanolate
CID 3820161
3,5-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]furan-2-carboxamide
CID 16067639
4-(2-Furoyl)-3-hydroxy-1-[3-(1H-imidazol-1-YL)propyl]-5-(4-pyridinyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2908630
2-(4-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 2913480
5-(3-Ethoxy-phenyl)-3-hydroxy-4-(5-methyl-furan-2-carbonyl)-1-pyridin-4-ylmethyl-1,5-dihydro-pyrrol-2-one
CID 648068
(4E)-5-(4-chlorophenyl)-4-[furan-2-yl(hydroxy)methylidene]-1-(pyrimidin-2-yl)pyrrolidine-2,3-dione
CID 2917647
(4E)-5-[4-(dimethylamino)phenyl]-4-[hydroxy(5-methylfuran-2-yl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
CID 3146598
(4E)-5-(4-fluorophenyl)-4-[furan-2-yl(hydroxy)methylidene]-1-(pyrimidin-2-yl)pyrrolidine-2,3-dione
CID 3789487
7-fluoro-N,3-dimethyl-N-(1-pyrimidin-4-ylethyl)-1-benzofuran-2-carboxamide
CID 24790531

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one?
The IUPAC name of 2-(4-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one (CID 3709623) is 2-(4-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 2-(4-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 2-(4-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)C2c2ccc(F)cc2)o1.
What is the InChIKey of 2-(4-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one?
The InChIKey is LOBJFYNPGDUUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O4/c1-11-3-8-14(28-11)17(25)15-16(12-4-6-13(21)7-5-12)24(19(27)18(15)26)20-22-9-2-10-23-20/h2-10,16,26H,1H3.
What are the key properties of 2-(4-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one?
2-(4-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-(4-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 3709623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).