3-(5-bromo-1-benzofuran-2-carbonyl)-1-(4-fluorophenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one

C24H14BrFN2O4 — CID 108628999

IUPAC3-(5-bromo-1-benzofuran-2-carbonyl)-1-(4-fluorophenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2ccc(F)cc2)C1c1cccnc1)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C24H14BrFN2O4/c25-15-3-8-18-14(10-15)11-19(32-18)22(29)20-21(13-2-1-9-27-12-13)28(24(31)23(20)30)17-6-4-16(26)5-7-17/h1-12,21,30H
InChIKeyUSIAWQFAHUPDLC-UHFFFAOYSA-N
MW493.29 g/mol
LogP5.51
Rot. Bonds4

About 3-(5-bromo-1-benzofuran-2-carbonyl)-1-(4-fluorophenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one

3-(5-bromo-1-benzofuran-2-carbonyl)-1-(4-fluorophenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one (PubChem CID 108628999) has the molecular formula C24H14BrFN2O4 and a molecular weight of 493.29 g/mol. Its IUPAC name is 3-(5-bromo-1-benzofuran-2-carbonyl)-1-(4-fluorophenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(5-bromo-1-benzofuran-2-carbonyl)-1-(4-fluorophenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
PubChem CID108628999
Molecular FormulaC24H14BrFN2O4
Molecular Weight493.29 g/mol
Exact Mass492.01
IUPAC Name3-(5-bromo-1-benzofuran-2-carbonyl)-1-(4-fluorophenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2ccc(F)cc2)C1c1cccnc1)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C24H14BrFN2O4/c25-15-3-8-18-14(10-15)11-19(32-18)22(29)20-21(13-2-1-9-27-12-13)28(24(31)23(20)30)17-6-4-16(26)5-7-17/h1-12,21,30H
InChIKeyUSIAWQFAHUPDLC-UHFFFAOYSA-N
XLogP5.51
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.29
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-bromo-1-benzofuran-2-carbonyl)-1-(3-bromophenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108673440
3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-1-[3-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one
CID 108672831
3-(5-bromo-1-benzofuran-2-carbonyl)-2-(4-fluorophenyl)-4-hydroxy-1-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 108601073
3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-1-phenyl-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108629775
3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-1-(4-propan-2-ylphenyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108591048
3-(5-bromo-1-benzofuran-2-carbonyl)-2-(4-bromophenyl)-4-hydroxy-1-phenyl-2H-pyrrol-5-one
CID 108687409
3-(5-bromo-1-benzofuran-2-carbonyl)-2-(4-fluorophenyl)-4-hydroxy-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 108679426
3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-1-(4-propan-2-ylphenyl)-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108593050
3-(5-bromo-1-benzofuran-2-carbonyl)-1-(3-chloro-4-fluorophenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108598404
3-(5-bromo-1-benzofuran-2-carbonyl)-1-(2,5-difluorophenyl)-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108601594
3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108724022
3-(5-bromo-1-benzofuran-2-carbonyl)-2-(4-chlorophenyl)-1-(3-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108600043

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-1-benzofuran-2-carbonyl)-1-(4-fluorophenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one?
The IUPAC name of 3-(5-bromo-1-benzofuran-2-carbonyl)-1-(4-fluorophenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one (CID 108628999) is 3-(5-bromo-1-benzofuran-2-carbonyl)-1-(4-fluorophenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one.
What is the SMILES notation for 3-(5-bromo-1-benzofuran-2-carbonyl)-1-(4-fluorophenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one?
The canonical SMILES for 3-(5-bromo-1-benzofuran-2-carbonyl)-1-(4-fluorophenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)C1c1cccnc1)c1cc2cc(Br)ccc2o1.
What is the InChIKey of 3-(5-bromo-1-benzofuran-2-carbonyl)-1-(4-fluorophenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one?
The InChIKey is USIAWQFAHUPDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14BrFN2O4/c25-15-3-8-18-14(10-15)11-19(32-18)22(29)20-21(13-2-1-9-27-12-13)28(24(31)23(20)30)17-6-4-16(26)5-7-17/h1-12,21,30H.
What are the key properties of 3-(5-bromo-1-benzofuran-2-carbonyl)-1-(4-fluorophenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one?
3-(5-bromo-1-benzofuran-2-carbonyl)-1-(4-fluorophenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one has a molecular weight of 493.29 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-1-benzofuran-2-carbonyl)-1-(4-fluorophenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one is sourced from PubChem (CID 108628999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).