2-(2-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one

C26H19FN2O5 — CID 108645348

IUPAC2-(2-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
SMILESCOc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccn4)C3c3ccccc3F)oc12
InChIInChI=1S/C26H19FN2O5/c1-33-19-11-6-7-15-13-20(34-25(15)19)23(30)21-22(17-9-2-3-10-18(17)27)29(26(32)24(21)31)14-16-8-4-5-12-28-16/h2-13,22,31H,14H2,1H3
InChIKeyRDUOLSNDIVQRPZ-UHFFFAOYSA-N
MW458.45 g/mol
LogP4.75
Rot. Bonds6

About 2-(2-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one

2-(2-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one (PubChem CID 108645348) has the molecular formula C26H19FN2O5 and a molecular weight of 458.45 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
PubChem CID108645348
Molecular FormulaC26H19FN2O5
Molecular Weight458.45 g/mol
Exact Mass458.13
IUPAC Name2-(2-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
SMILESCOc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccn4)C3c3ccccc3F)oc12
InChIInChI=1S/C26H19FN2O5/c1-33-19-11-6-7-15-13-20(34-25(15)19)23(30)21-22(17-9-2-3-10-18(17)27)29(26(32)24(21)31)14-16-8-4-5-12-28-16/h2-13,22,31H,14H2,1H3
InChIKeyRDUOLSNDIVQRPZ-UHFFFAOYSA-N
XLogP4.75
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.45
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(2-methoxyphenyl)-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 108579783
4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-pyridin-2-yl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 108627351
2-(2-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-methoxyethyl)-2H-pyrrol-5-one
CID 4866250
4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-[(2-methoxyphenyl)methyl]-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108589050
2-(2-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one
CID 5241456
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-4-yl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 108634387
2-(2-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(4-methylphenyl)-2H-pyrrol-5-one
CID 108645024
1-butyl-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108627903
4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-pentyl-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108628077
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 108647906
4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(2-methoxyphenyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one
CID 108614238
4-hydroxy-2-(1H-indol-3-yl)-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 108604410

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one?
The IUPAC name of 2-(2-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one (CID 108645348) is 2-(2-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(2-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(2-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one is COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccn4)C3c3ccccc3F)oc12.
What is the InChIKey of 2-(2-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one?
The InChIKey is RDUOLSNDIVQRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN2O5/c1-33-19-11-6-7-15-13-20(34-25(15)19)23(30)21-22(17-9-2-3-10-18(17)27)29(26(32)24(21)31)14-16-8-4-5-12-28-16/h2-13,22,31H,14H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one?
2-(2-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one has a molecular weight of 458.45 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108645348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).