5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-propanoylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione

C23H20N4O5 — CID 91553722

IUPAC5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-propanoylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione
SMILESCCC(=O)c1cnc2cc(C3(CN4Cc5ccc(C)cc5C4=O)NC(=O)NC3=O)oc2c1
InChIInChI=1S/C23H20N4O5/c1-3-17(28)14-7-18-16(24-9-14)8-19(32-18)23(21(30)25-22(31)26-23)11-27-10-13-5-4-12(2)6-15(13)20(27)29/h4-9H,3,10-11H2,1-2H3,(H2,25,26,30,31)
InChIKeyGJLSAKFDRADMLI-UHFFFAOYSA-N
MW432.44 g/mol
LogP2.42
Rot. Bonds5

About 5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-propanoylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione

5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-propanoylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione (PubChem CID 91553722) has the molecular formula C23H20N4O5 and a molecular weight of 432.44 g/mol. Its IUPAC name is 5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-propanoylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-propanoylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione
PubChem CID91553722
Molecular FormulaC23H20N4O5
Molecular Weight432.44 g/mol
Exact Mass432.14
IUPAC Name5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-propanoylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione
SMILESCCC(=O)c1cnc2cc(C3(CN4Cc5ccc(C)cc5C4=O)NC(=O)NC3=O)oc2c1
InChIInChI=1S/C23H20N4O5/c1-3-17(28)14-7-18-16(24-9-14)8-19(32-18)23(21(30)25-22(31)26-23)11-27-10-13-5-4-12(2)6-15(13)20(27)29/h4-9H,3,10-11H2,1-2H3,(H2,25,26,30,31)
InChIKeyGJLSAKFDRADMLI-UHFFFAOYSA-N
XLogP2.42
TPSA121.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-(6-acetylfuro[3,2-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-propanoylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione
CID 158870735
(5S)-5-[5-(1-ethoxyethenyl)furo[2,3-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 58053132
2-hydroxy-N-[2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridin-5-yl]propanamide
CID 77403705
5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methyl-2-pyridinyl)imidazolidine-2,4-dione
CID 71176706
(5S)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(3-hydroxyphenyl)furo[2,3-c]pyridin-2-yl]imidazolidine-2,4-dione
CID 70235520
(5S)-5-(5-cyclopropylfuro[3,2-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 46199982
5-(1-benzofuran-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 76680334
(5S)-5-(6-fluoro-1-benzofuran-2-yl)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 143510855
(5S)-5-[(5-ethyl-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-3-ylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione
CID 58053645
5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-oxo-1,2-dihydrofuro[3,2-e]isoindol-7-yl)imidazolidine-2,4-dione
CID 75171753
(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(2-oxopropyl)furo[2,3-b]pyridin-2-yl]imidazolidine-2,4-dione
CID 58053905
(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(2-oxo-1,3-diazinan-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
CID 46200761

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-propanoylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione?
The IUPAC name of 5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-propanoylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione (CID 91553722) is 5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-propanoylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-propanoylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-propanoylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione is CCC(=O)c1cnc2cc(C3(CN4Cc5ccc(C)cc5C4=O)NC(=O)NC3=O)oc2c1.
What is the InChIKey of 5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-propanoylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione?
The InChIKey is GJLSAKFDRADMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O5/c1-3-17(28)14-7-18-16(24-9-14)8-19(32-18)23(21(30)25-22(31)26-23)11-27-10-13-5-4-12(2)6-15(13)20(27)29/h4-9H,3,10-11H2,1-2H3,(H2,25,26,30,31).
What are the key properties of 5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-propanoylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione?
5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-propanoylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione has a molecular weight of 432.44 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-propanoylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 91553722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).