2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one

C21H15FN2O4 — CID 4551429

IUPAC2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(Cc2cccnc2)C1c1ccccc1F)c1ccco1
InChIInChI=1S/C21H15FN2O4/c22-15-7-2-1-6-14(15)18-17(19(25)16-8-4-10-28-16)20(26)21(27)24(18)12-13-5-3-9-23-11-13/h1-11,18,26H,12H2
InChIKeyBYPSQJYNMBUWPY-UHFFFAOYSA-N
MW378.36 g/mol
LogP3.59
Rot. Bonds5

About 2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one

2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one (PubChem CID 4551429) has the molecular formula C21H15FN2O4 and a molecular weight of 378.36 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
PubChem CID4551429
Molecular FormulaC21H15FN2O4
Molecular Weight378.36 g/mol
Exact Mass378.10
IUPAC Name2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(Cc2cccnc2)C1c1ccccc1F)c1ccco1
InChIInChI=1S/C21H15FN2O4/c22-15-7-2-1-6-14(15)18-17(19(25)16-8-4-10-28-16)20(26)21(27)24(18)12-13-5-3-9-23-11-13/h1-11,18,26H,12H2
InChIKeyBYPSQJYNMBUWPY-UHFFFAOYSA-N
XLogP3.59
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 108645401
(2R)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-methylphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 986549
2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-propyl-2H-pyrrol-5-one
CID 108645920
2-[4-(diethylamino)phenyl]-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 108691000
3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108630788
(2S)-2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-methoxypropyl)-2H-pyrrol-5-one
CID 7371665
3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 108630872
(2S)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-prop-2-enoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 6996751
(2S)-2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ium-4-ylethyl)-2H-pyrrol-5-one
CID 6980769
(2R)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 1081145
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 108651584
2-(4-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 108600418

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
The IUPAC name of 2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one (CID 4551429) is 2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(Cc2cccnc2)C1c1ccccc1F)c1ccco1.
What is the InChIKey of 2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
The InChIKey is BYPSQJYNMBUWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O4/c22-15-7-2-1-6-14(15)18-17(19(25)16-8-4-10-28-16)20(26)21(27)24(18)12-13-5-3-9-23-11-13/h1-11,18,26H,12H2.
What are the key properties of 2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one has a molecular weight of 378.36 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 4551429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).