ethyl 2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxylate

About ethyl 2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxylate

ethyl 2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxylate (PubChem CID 58053226) has the molecular formula C24H25N3O7 and a molecular weight of 467.48 g/mol. Its IUPAC name is ethyl 2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxylate.

Molecular Properties

Compound Name	ethyl 2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxylate
PubChem CID	58053226
Molecular Formula	C24H25N3O7
Molecular Weight	467.48 g/mol
Exact Mass	467.17
IUPAC Name	ethyl 2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxylate
SMILES	CCOC(=O)N1CCc2oc([C@]3(CN4Cc5ccc(OC)cc5C4=O)CC(=O)NC3=O)cc2C1
InChI	InChI=1S/C24H25N3O7/c1-3-33-23(31)26-7-6-18-15(12-26)8-19(34-18)24(10-20(28)25-22(24)30)13-27-11-14-4-5-16(32-2)9-17(14)21(27)29/h4-5,8-9H,3,6-7,10-13H2,1-2H3,(H,25,28,30)/t24-/m1/s1
InChIKey	DTJFQEOPPXGTRW-XMMPIXPASA-N
XLogP	1.74
TPSA	118.39 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	5
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.48
LogP ≤ 5	1.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxylate?

The IUPAC name of ethyl 2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxylate (CID 58053226) is ethyl 2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxylate.

What is the SMILES notation for ethyl 2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxylate?

The canonical SMILES for ethyl 2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxylate is CCOC(=O)N1CCc2oc([C@]3(CN4Cc5ccc(OC)cc5C4=O)CC(=O)NC3=O)cc2C1.

What is the InChIKey of ethyl 2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxylate?

The InChIKey is DTJFQEOPPXGTRW-XMMPIXPASA-N. The full InChI is InChI=1S/C24H25N3O7/c1-3-33-23(31)26-7-6-18-15(12-26)8-19(34-18)24(10-20(28)25-22(24)30)13-27-11-14-4-5-16(32-2)9-17(14)21(27)29/h4-5,8-9H,3,6-7,10-13H2,1-2H3,(H,25,28,30)/t24-/m1/s1.

What are the key properties of ethyl 2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxylate?

ethyl 2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxylate has a molecular weight of 467.48 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxylate is sourced from PubChem (CID 58053226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).