3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-pyridin-4-yl-2H-pyrrol-5-one

C20H18N4O4 — CID 2908630

IUPAC3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-pyridin-4-yl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CCCn2ccnc2)C1c1ccncc1)c1ccco1
InChIInChI=1S/C20H18N4O4/c25-18(15-3-1-12-28-15)16-17(14-4-6-21-7-5-14)24(20(27)19(16)26)10-2-9-23-11-8-22-13-23/h1,3-8,11-13,17,26H,2,9-10H2
InChIKeyZJFAFZRLJSZJIN-UHFFFAOYSA-N
MW378.39 g/mol
LogP2.54
Rot. Bonds7

About 3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-pyridin-4-yl-2H-pyrrol-5-one

3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-pyridin-4-yl-2H-pyrrol-5-one (PubChem CID 2908630) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is 3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-pyridin-4-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-pyridin-4-yl-2H-pyrrol-5-one
PubChem CID2908630
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC Name3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-pyridin-4-yl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CCCn2ccnc2)C1c1ccncc1)c1ccco1
InChIInChI=1S/C20H18N4O4/c25-18(15-3-1-12-28-15)16-17(14-4-6-21-7-5-14)24(20(27)19(16)26)10-2-9-23-11-8-22-13-23/h1,3-8,11-13,17,26H,2,9-10H2
InChIKeyZJFAFZRLJSZJIN-UHFFFAOYSA-N
XLogP2.54
TPSA101.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-Furoyl)-3-hydroxy-1-[2-(4-morpholinyl)ethyl]-5-(4-pyridinyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2909386
(E)-furan-2-yl[2-(4-methylphenyl)-4,5-dioxo-1-(pyrimidin-1-ium-2-yl)pyrrolidin-3-ylidene]methanolate
CID 3704657
N-[(1Z)-3-{[3-(1H-imidazol-1-yl)propyl]amino}-3-oxo-1-(pyridin-3-yl)prop-1-en-2-yl]furan-2-carboxamide
CID 6996550
(E)-[2-(2-fluorophenyl)-4,5-dioxo-1-(pyrimidin-1-ium-2-yl)pyrrolidin-3-ylidene](5-methylfuran-2-yl)methanolate
CID 3820161
2-Furan-3-yl-5-imidazol-1-ylmethyl-pyridine
CID 57329785
5-(Furan-2-yl(1H-imidazol-1-yl)methyl)-2-phenylpyridine
CID 57330008
5-(3-Allyloxy-phenyl)-4-(furan-2-carbonyl)-3-hydroxy-1-pyridin-4-ylmethyl-1,5-dihydro-pyrrol-2-one
CID 646495
CID 646794
CID 646794
5-(3-Ethoxy-phenyl)-4-(furan-2-carbonyl)-3-hydroxy-1-pyridin-4-ylmethyl-1,5-dihydro-pyrrol-2-one
CID 652592
1-(3-(1H-imidazol-1-yl)propyl)-4-(furan-2-carbonyl)-3-hydroxy-5-(4-propoxyphenyl)-1H-pyrrol-2(5H)-one
CID 662131
1-(3-(1H-imidazol-1-yl)propyl)-3-hydroxy-5-(4-isopropoxyphenyl)-4-(5-methylfuran-2-carbonyl)-1H-pyrrol-2(5H)-one
CID 663879
(4E)-5-(4-chlorophenyl)-4-[furan-2-yl(hydroxy)methylidene]-1-(pyrimidin-2-yl)pyrrolidine-2,3-dione
CID 2917647

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-pyridin-4-yl-2H-pyrrol-5-one?
The IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-pyridin-4-yl-2H-pyrrol-5-one (CID 2908630) is 3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-pyridin-4-yl-2H-pyrrol-5-one.
What is the SMILES notation for 3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-pyridin-4-yl-2H-pyrrol-5-one?
The canonical SMILES for 3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-pyridin-4-yl-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(CCCn2ccnc2)C1c1ccncc1)c1ccco1.
What is the InChIKey of 3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-pyridin-4-yl-2H-pyrrol-5-one?
The InChIKey is ZJFAFZRLJSZJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4/c25-18(15-3-1-12-28-15)16-17(14-4-6-21-7-5-14)24(20(27)19(16)26)10-2-9-23-11-8-22-13-23/h1,3-8,11-13,17,26H,2,9-10H2.
What are the key properties of 3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-pyridin-4-yl-2H-pyrrol-5-one?
3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-pyridin-4-yl-2H-pyrrol-5-one has a molecular weight of 378.39 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-pyridin-4-yl-2H-pyrrol-5-one is sourced from PubChem (CID 2908630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).