1-[2-(4-fluorophenyl)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one

C22H17FN2O4 — CID 108592338

IUPAC1-[2-(4-fluorophenyl)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)C1c1cccnc1)c1ccco1
InChIInChI=1S/C22H17FN2O4/c23-16-7-5-14(6-8-16)9-11-25-19(15-3-1-10-24-13-15)18(21(27)22(25)28)20(26)17-4-2-12-29-17/h1-8,10,12-13,19,27H,9,11H2
InChIKeyOMXFIVJRYFXGCG-UHFFFAOYSA-N
MW392.39 g/mol
LogP3.63
Rot. Bonds6

About 1-[2-(4-fluorophenyl)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one

1-[2-(4-fluorophenyl)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one (PubChem CID 108592338) has the molecular formula C22H17FN2O4 and a molecular weight of 392.39 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
PubChem CID108592338
Molecular FormulaC22H17FN2O4
Molecular Weight392.39 g/mol
Exact Mass392.12
IUPAC Name1-[2-(4-fluorophenyl)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)C1c1cccnc1)c1ccco1
InChIInChI=1S/C22H17FN2O4/c23-16-7-5-14(6-8-16)9-11-25-19(15-3-1-10-24-13-15)18(21(27)22(25)28)20(26)17-4-2-12-29-17/h1-8,10,12-13,19,27H,9,11H2
InChIKeyOMXFIVJRYFXGCG-UHFFFAOYSA-N
XLogP3.63
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 1081145
2-(4-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 108694911
3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108630788
3-[(2R)-3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2-pyridin-3-yl-2H-pyrrol-1-yl]propyl-dimethylazanium
CID 6971479
(2R)-1-[3-(dimethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
CID 1155449
1-[2-(diethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108631621
3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 108630872
3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 4756305
(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-yl-2H-pyrrol-5-one
CID 51552216
(2R)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-yl-2H-pyrrol-5-one
CID 51552218
3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-(2-phenylethyl)-2H-pyrrol-5-one
CID 3402408
2-(4-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one
CID 3401778

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one (CID 108592338) is 1-[2-(4-fluorophenyl)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(CCc2ccc(F)cc2)C1c1cccnc1)c1ccco1.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one?
The InChIKey is OMXFIVJRYFXGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O4/c23-16-7-5-14(6-8-16)9-11-25-19(15-3-1-10-24-13-15)18(21(27)22(25)28)20(26)17-4-2-12-29-17/h1-8,10,12-13,19,27H,9,11H2.
What are the key properties of 1-[2-(4-fluorophenyl)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one?
1-[2-(4-fluorophenyl)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one has a molecular weight of 392.39 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one is sourced from PubChem (CID 108592338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).