4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(3-phenoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one

C28H22N2O5 — CID 2911077

IUPAC4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(3-phenoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
SMILESCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)C2c2cccc(Oc3ccccc3)c2)o1
InChIInChI=1S/C28H22N2O5/c1-18-12-13-23(34-18)26(31)24-25(30(28(33)27(24)32)17-19-7-6-14-29-16-19)20-8-5-11-22(15-20)35-21-9-3-2-4-10-21/h2-16,25,32H,17H2,1H3
InChIKeyOIHLPEJCKIOBBO-UHFFFAOYSA-N
MW466.49 g/mol
LogP5.55
Rot. Bonds7

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

4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(3-phenoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one (PubChem CID 2911077) has the molecular formula C28H22N2O5 and a molecular weight of 466.49 g/mol. Its IUPAC name is 4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(3-phenoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(3-phenoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
PubChem CID2911077
Molecular FormulaC28H22N2O5
Molecular Weight466.49 g/mol
Exact Mass466.15
IUPAC Name4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(3-phenoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
SMILESCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)C2c2cccc(Oc3ccccc3)c2)o1
InChIInChI=1S/C28H22N2O5/c1-18-12-13-23(34-18)26(31)24-25(30(28(33)27(24)32)17-19-7-6-14-29-16-19)20-8-5-11-22(15-20)35-21-9-3-2-4-10-21/h2-16,25,32H,17H2,1H3
InChIKeyOIHLPEJCKIOBBO-UHFFFAOYSA-N
XLogP5.55
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.49
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3,4-Dimethoxyphenyl)-3-hydroxy-4-(5-methyl-2-furoyl)-1-(3-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one
CID 3146599
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-3-(3-(benzyloxy)phenyl)-propane
CID 16735160
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(3-methoxyphenyl)heptane
CID 16736437
4-(2-Furoyl)-3-hydroxy-1-[2-(4-morpholinyl)ethyl]-5-(4-pyridinyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2909386
3-Hydroxy-5-(4-methoxyphenyl)-4-(5-methyl-2-furoyl)-1-(3-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2913061
(E)-[2-(2-fluorophenyl)-4,5-dioxo-1-(pyrimidin-1-ium-2-yl)pyrrolidin-3-ylidene](5-methylfuran-2-yl)methanolate
CID 3820161
2-[-(5-Phenyl-2-furoyl)-3-pyridin-3-yl-4,5-dihydro-1h-pyrazol-5-yl]phenol
CID 24963235
[3-(2-Hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone
CID 24966065
[3-(2-Hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(4-methylphenyl)furan-2-yl]methanone
CID 54583044
4-(2-Furoyl)-3-HO-5-(3-nitro-PH)-1-(3-pyridinyl-ME)-1,5-dihydro-2H-pyrrol-2-one
CID 2910507
2-(4-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 2913480
5-(3-Allyloxy-phenyl)-4-(furan-2-carbonyl)-3-hydroxy-1-pyridin-4-ylmethyl-1,5-dihydro-pyrrol-2-one
CID 646495

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(3-phenoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(3-phenoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one (CID 2911077) is 4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(3-phenoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(3-phenoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(3-phenoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one is Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)C2c2cccc(Oc3ccccc3)c2)o1.
What is the InChIKey of 4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(3-phenoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
The InChIKey is OIHLPEJCKIOBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O5/c1-18-12-13-23(34-18)26(31)24-25(30(28(33)27(24)32)17-19-7-6-14-29-16-19)20-8-5-11-22(15-20)35-21-9-3-2-4-10-21/h2-16,25,32H,17H2,1H3.
What are the key properties of 4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(3-phenoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(3-phenoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one has a molecular weight of 466.49 g/mol, XLogP of 5.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(3-phenoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 2911077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).