5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-5-(5-oxo-4H-furo[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione

C19H14N4O6 — CID 90894646

IUPAC5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-5-(5-oxo-4H-furo[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C1(c3cc4[nH]c(=O)ccc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C19H14N4O6/c1-28-10-3-2-9-8-23(16(25)11(9)6-10)19(17(26)21-18(27)22-19)14-7-12-13(29-14)4-5-15(24)20-12/h2-7H,8H2,1H3,(H,20,24)(H2,21,22,26,27)
InChIKeyRLWAVVXLQAZHPR-UHFFFAOYSA-N
MW394.34 g/mol
LogP0.78
Rot. Bonds3

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

5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-5-(5-oxo-4H-furo[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione (PubChem CID 90894646) has the molecular formula C19H14N4O6 and a molecular weight of 394.34 g/mol. Its IUPAC name is 5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-5-(5-oxo-4H-furo[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-5-(5-oxo-4H-furo[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione
PubChem CID90894646
Molecular FormulaC19H14N4O6
Molecular Weight394.34 g/mol
Exact Mass394.09
IUPAC Name5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-5-(5-oxo-4H-furo[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C1(c3cc4[nH]c(=O)ccc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C19H14N4O6/c1-28-10-3-2-9-8-23(16(25)11(9)6-10)19(17(26)21-18(27)22-19)14-7-12-13(29-14)4-5-15(24)20-12/h2-7H,8H2,1H3,(H,20,24)(H2,21,22,26,27)
InChIKeyRLWAVVXLQAZHPR-UHFFFAOYSA-N
XLogP0.78
TPSA133.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.34
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-5-(5-oxo-4H-furo[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione with MolForge

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Related Compounds

(5S)-5-(5-aminofuro[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-(5-oxo-4H-furo[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione
CID 158946537
5-(7-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-5-[5-(3-oxopiperazin-1-yl)-8H-furo[3,2-b]azepin-2-yl]imidazolidine-2,4-dione
CID 143990254
5-(1-benzofuran-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 76680334
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
5-ethyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 75224389
(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
(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1,2,4-triazol-1-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione
CID 58053747
5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(3-oxo-1,2-dihydropyrrol-5-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione
CID 58053780
6-methoxy-2-methyl-3H-isoindol-1-one;5-methyl-5-(5-piperazin-1-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione
CID 143990599
(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1H-pyrrol-3-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
CID 58054049
5-[5-(1-amino-2,2,2-trifluoroethyl)-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 75171635
5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(2-oxopiperidin-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
CID 77403598

Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-5-(5-oxo-4H-furo[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione?
The IUPAC name of 5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-5-(5-oxo-4H-furo[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione (CID 90894646) is 5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-5-(5-oxo-4H-furo[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-5-(5-oxo-4H-furo[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-5-(5-oxo-4H-furo[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C1(c3cc4[nH]c(=O)ccc4o3)NC(=O)NC1=O)C2.
What is the InChIKey of 5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-5-(5-oxo-4H-furo[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione?
The InChIKey is RLWAVVXLQAZHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O6/c1-28-10-3-2-9-8-23(16(25)11(9)6-10)19(17(26)21-18(27)22-19)14-7-12-13(29-14)4-5-15(24)20-12/h2-7H,8H2,1H3,(H,20,24)(H2,21,22,26,27).
What are the key properties of 5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-5-(5-oxo-4H-furo[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione?
5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-5-(5-oxo-4H-furo[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione has a molecular weight of 394.34 g/mol, XLogP of 0.78, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-5-(5-oxo-4H-furo[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 90894646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).