3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one

C22H20N4O4 — CID 6225710

IUPAC3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one
SMILESO=C(/C=C/c1ccco1)C1=C(O)C(=O)N(CCCn2ccnc2)C1c1cccnc1
InChIInChI=1S/C22H20N4O4/c27-18(7-6-17-5-2-13-30-17)19-20(16-4-1-8-23-14-16)26(22(29)21(19)28)11-3-10-25-12-9-24-15-25/h1-2,4-9,12-15,20,28H,3,10-11H2/b7-6+
InChIKeyNIJZRIDPIDYFEY-VOTSOKGWSA-N
MW404.43 g/mol
LogP2.94
Rot. Bonds8

About 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one

3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one (PubChem CID 6225710) has the molecular formula C22H20N4O4 and a molecular weight of 404.43 g/mol. Its IUPAC name is 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one
PubChem CID6225710
Molecular FormulaC22H20N4O4
Molecular Weight404.43 g/mol
Exact Mass404.15
IUPAC Name3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one
SMILESO=C(/C=C/c1ccco1)C1=C(O)C(=O)N(CCCn2ccnc2)C1c1cccnc1
InChIInChI=1S/C22H20N4O4/c27-18(7-6-17-5-2-13-30-17)19-20(16-4-1-8-23-14-16)26(22(29)21(19)28)11-3-10-25-12-9-24-15-25/h1-2,4-9,12-15,20,28H,3,10-11H2/b7-6+
InChIKeyNIJZRIDPIDYFEY-VOTSOKGWSA-N
XLogP2.94
TPSA101.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one
CID 6222050
3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(3-nitrophenyl)-2H-pyrrol-5-one
CID 18829328
3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenyl)-2H-pyrrol-5-one
CID 6225387
3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-phenyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 4871056
3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-phenyl-2H-pyrrol-5-one
CID 6226619
3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(3-methoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 6226186
3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-pyridin-4-yl-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one
CID 110276602
3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(4-propan-2-ylphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 4870375
2-(3-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one
CID 2910207
(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one
CID 40862775
2-(4-butoxyphenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(3-phenylprop-2-enoyl)-2H-pyrrol-5-one
CID 4697474
2-(4-fluorophenyl)-3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
CID 4901422

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one?
The IUPAC name of 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one (CID 6225710) is 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one.
What is the SMILES notation for 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one?
The canonical SMILES for 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one is O=C(/C=C/c1ccco1)C1=C(O)C(=O)N(CCCn2ccnc2)C1c1cccnc1.
What is the InChIKey of 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one?
The InChIKey is NIJZRIDPIDYFEY-VOTSOKGWSA-N. The full InChI is InChI=1S/C22H20N4O4/c27-18(7-6-17-5-2-13-30-17)19-20(16-4-1-8-23-14-16)26(22(29)21(19)28)11-3-10-25-12-9-24-15-25/h1-2,4-9,12-15,20,28H,3,10-11H2/b7-6+.
What are the key properties of 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one?
3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one has a molecular weight of 404.43 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one is sourced from PubChem (CID 6225710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).