(4E)-5-(4-ethylphenyl)-1-(furan-2-ylmethyl)-4-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]pyrrolidine-2,3-dione

C26H23N3O4 — CID 6188620

IUPAC(4E)-5-(4-ethylphenyl)-1-(furan-2-ylmethyl)-4-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]pyrrolidine-2,3-dione
SMILESCCc1ccc(C2/C(=C(\O)c3c(C)nc4ccccn34)C(=O)C(=O)N2Cc2ccco2)cc1
InChIInChI=1S/C26H23N3O4/c1-3-17-9-11-18(12-10-17)23-21(25(31)26(32)29(23)15-19-7-6-14-33-19)24(30)22-16(2)27-20-8-4-5-13-28(20)22/h4-14,23,30H,3,15H2,1-2H3/b24-21+
InChIKeyCDDOQPNRCHPKLW-DARPEHSRSA-N
MW441.49 g/mol
LogP4.42
Rot. Bonds5

About (4E)-5-(4-ethylphenyl)-1-(furan-2-ylmethyl)-4-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]pyrrolidine-2,3-dione

(4E)-5-(4-ethylphenyl)-1-(furan-2-ylmethyl)-4-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]pyrrolidine-2,3-dione (PubChem CID 6188620) has the molecular formula C26H23N3O4 and a molecular weight of 441.49 g/mol. Its IUPAC name is (4E)-5-(4-ethylphenyl)-1-(furan-2-ylmethyl)-4-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]pyrrolidine-2,3-dione.

Molecular Properties

Compound Name(4E)-5-(4-ethylphenyl)-1-(furan-2-ylmethyl)-4-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]pyrrolidine-2,3-dione
PubChem CID6188620
Molecular FormulaC26H23N3O4
Molecular Weight441.49 g/mol
Exact Mass441.17
IUPAC Name(4E)-5-(4-ethylphenyl)-1-(furan-2-ylmethyl)-4-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]pyrrolidine-2,3-dione
SMILESCCc1ccc(C2/C(=C(\O)c3c(C)nc4ccccn34)C(=O)C(=O)N2Cc2ccco2)cc1
InChIInChI=1S/C26H23N3O4/c1-3-17-9-11-18(12-10-17)23-21(25(31)26(32)29(23)15-19-7-6-14-33-19)24(30)22-16(2)27-20-8-4-5-13-28(20)22/h4-14,23,30H,3,15H2,1-2H3/b24-21+
InChIKeyCDDOQPNRCHPKLW-DARPEHSRSA-N
XLogP4.42
TPSA88.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4E)-5-(4-butoxy-3-methoxyphenyl)-1-(furan-2-ylmethyl)-4-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]pyrrolidine-2,3-dione
CID 6188629
(4E)-5-(4-ethylphenyl)-4-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
CID 6188664
1-benzyl-4-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione
CID 4695959
(4Z)-4-[(4-ethylphenyl)-hydroxymethylidene]-1-(furan-2-ylmethyl)-5-phenylpyrrolidine-2,3-dione
CID 108639877
1-benzyl-5-(4-fluorophenyl)-4-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]pyrrolidine-2,3-dione
CID 4695956
1-benzyl-5-(4-tert-butylphenyl)-4-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]pyrrolidine-2,3-dione
CID 4695963
(4E)-1-benzyl-5-(4-butoxyphenyl)-4-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]pyrrolidine-2,3-dione
CID 6188718
5-(4-ethylphenyl)-4-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
CID 5270025
(4Z)-5-(4-ethylphenyl)-4-[(4-fluoro-3-methylphenyl)-hydroxymethylidene]-1-(furan-2-ylmethyl)pyrrolidine-2,3-dione
CID 108649368
5-(4-tert-butylphenyl)-4-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
CID 3398534
(4E,5S)-1-[2-(dimethylamino)ethyl]-4-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]-5-phenylpyrrolidine-2,3-dione
CID 98386496
4-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]-1-(3-imidazol-1-ylpropyl)-5-(4-methylphenyl)pyrrolidine-2,3-dione
CID 4675106

Frequently Asked Questions

What is the IUPAC name of (4E)-5-(4-ethylphenyl)-1-(furan-2-ylmethyl)-4-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]pyrrolidine-2,3-dione?
The IUPAC name of (4E)-5-(4-ethylphenyl)-1-(furan-2-ylmethyl)-4-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]pyrrolidine-2,3-dione (CID 6188620) is (4E)-5-(4-ethylphenyl)-1-(furan-2-ylmethyl)-4-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]pyrrolidine-2,3-dione.
What is the SMILES notation for (4E)-5-(4-ethylphenyl)-1-(furan-2-ylmethyl)-4-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]pyrrolidine-2,3-dione?
The canonical SMILES for (4E)-5-(4-ethylphenyl)-1-(furan-2-ylmethyl)-4-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]pyrrolidine-2,3-dione is CCc1ccc(C2/C(=C(\O)c3c(C)nc4ccccn34)C(=O)C(=O)N2Cc2ccco2)cc1.
What is the InChIKey of (4E)-5-(4-ethylphenyl)-1-(furan-2-ylmethyl)-4-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]pyrrolidine-2,3-dione?
The InChIKey is CDDOQPNRCHPKLW-DARPEHSRSA-N. The full InChI is InChI=1S/C26H23N3O4/c1-3-17-9-11-18(12-10-17)23-21(25(31)26(32)29(23)15-19-7-6-14-33-19)24(30)22-16(2)27-20-8-4-5-13-28(20)22/h4-14,23,30H,3,15H2,1-2H3/b24-21+.
What are the key properties of (4E)-5-(4-ethylphenyl)-1-(furan-2-ylmethyl)-4-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]pyrrolidine-2,3-dione?
(4E)-5-(4-ethylphenyl)-1-(furan-2-ylmethyl)-4-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]pyrrolidine-2,3-dione has a molecular weight of 441.49 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-5-(4-ethylphenyl)-1-(furan-2-ylmethyl)-4-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]pyrrolidine-2,3-dione is sourced from PubChem (CID 6188620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).