1-(2,4-difluorophenyl)-4-hydroxy-2-pyridin-4-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

C20H12F2N2O3S — CID 108633973

IUPAC1-(2,4-difluorophenyl)-4-hydroxy-2-pyridin-4-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)C1c1ccncc1)c1cccs1
InChIInChI=1S/C20H12F2N2O3S/c21-12-3-4-14(13(22)10-12)24-17(11-5-7-23-8-6-11)16(19(26)20(24)27)18(25)15-2-1-9-28-15/h1-10,17,26H
InChIKeyKPVXLAJJYSTFCT-UHFFFAOYSA-N
MW398.39 g/mol
LogP4.20
Rot. Bonds4

About 1-(2,4-difluorophenyl)-4-hydroxy-2-pyridin-4-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

1-(2,4-difluorophenyl)-4-hydroxy-2-pyridin-4-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 108633973) has the molecular formula C20H12F2N2O3S and a molecular weight of 398.39 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-4-hydroxy-2-pyridin-4-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-4-hydroxy-2-pyridin-4-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
PubChem CID108633973
Molecular FormulaC20H12F2N2O3S
Molecular Weight398.39 g/mol
Exact Mass398.05
IUPAC Name1-(2,4-difluorophenyl)-4-hydroxy-2-pyridin-4-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)C1c1ccncc1)c1cccs1
InChIInChI=1S/C20H12F2N2O3S/c21-12-3-4-14(13(22)10-12)24-17(11-5-7-23-8-6-11)16(19(26)20(24)27)18(25)15-2-1-9-28-15/h1-10,17,26H
InChIKeyKPVXLAJJYSTFCT-UHFFFAOYSA-N
XLogP4.20
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-difluorophenyl)-2-(furan-2-yl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108655634
1-(4-fluorophenyl)-4-hydroxy-2-(4-hydroxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108616422
4-[4-hydroxy-5-oxo-2-pyridin-4-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]benzenesulfonamide
CID 108674234
1-(2,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one
CID 108588247
1-(2,5-difluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108634119
1-(2,4-difluorophenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one
CID 108588246
2-(4-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 2919070
1-(4-fluorophenyl)-4-hydroxy-2-(3-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108618583
2-(4-fluorophenyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 2908271
4-hydroxy-1-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108647328
2-[(2S)-4-hydroxy-5-oxo-2-pyridin-4-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]ethyl-dimethylazanium
CID 6979404
1-(2,4-difluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one
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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-4-hydroxy-2-pyridin-4-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 1-(2,4-difluorophenyl)-4-hydroxy-2-pyridin-4-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (CID 108633973) is 1-(2,4-difluorophenyl)-4-hydroxy-2-pyridin-4-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-(2,4-difluorophenyl)-4-hydroxy-2-pyridin-4-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-(2,4-difluorophenyl)-4-hydroxy-2-pyridin-4-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(c2ccc(F)cc2F)C1c1ccncc1)c1cccs1.
What is the InChIKey of 1-(2,4-difluorophenyl)-4-hydroxy-2-pyridin-4-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is KPVXLAJJYSTFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F2N2O3S/c21-12-3-4-14(13(22)10-12)24-17(11-5-7-23-8-6-11)16(19(26)20(24)27)18(25)15-2-1-9-28-15/h1-10,17,26H.
What are the key properties of 1-(2,4-difluorophenyl)-4-hydroxy-2-pyridin-4-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
1-(2,4-difluorophenyl)-4-hydroxy-2-pyridin-4-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 398.39 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-4-hydroxy-2-pyridin-4-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108633973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).