methyl 2-[(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridine-6-carboxylate

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

methyl 2-[(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridine-6-carboxylate (PubChem CID 58053148) has the molecular formula C23H18FN3O7 and a molecular weight of 467.41 g/mol. Its IUPAC name is methyl 2-[(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridine-6-carboxylate.

Molecular Properties

Compound Name	methyl 2-[(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridine-6-carboxylate
PubChem CID	58053148
Molecular Formula	C23H18FN3O7
Molecular Weight	467.41 g/mol
Exact Mass	467.11
IUPAC Name	methyl 2-[(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridine-6-carboxylate
SMILES	COC(=O)c1cnc2cc([C@]3(CN4Cc5ccc(OC)c(F)c5C4=O)CC(=O)NC3=O)oc2c1
InChI	InChI=1S/C23H18FN3O7/c1-32-14-4-3-11-9-27(20(29)18(11)19(14)24)10-23(7-17(28)26-22(23)31)16-6-13-15(34-16)5-12(8-25-13)21(30)33-2/h3-6,8H,7,9-10H2,1-2H3,(H,26,28,31)/t23-/m1/s1
InChIKey	DGBJMBWCPCJOIN-HSZRJFAPSA-N
XLogP	1.70
TPSA	128.04 Å²
H-Bond Donors	1
H-Bond Acceptors	8
Rotatable Bonds	5
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.41
LogP ≤ 5	1.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

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

The IUPAC name of methyl 2-[(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridine-6-carboxylate (CID 58053148) is methyl 2-[(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridine-6-carboxylate.

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

The canonical SMILES for methyl 2-[(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridine-6-carboxylate is COC(=O)c1cnc2cc([C@]3(CN4Cc5ccc(OC)c(F)c5C4=O)CC(=O)NC3=O)oc2c1.

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

The InChIKey is DGBJMBWCPCJOIN-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H18FN3O7/c1-32-14-4-3-11-9-27(20(29)18(11)19(14)24)10-23(7-17(28)26-22(23)31)16-6-13-15(34-16)5-12(8-25-13)21(30)33-2/h3-6,8H,7,9-10H2,1-2H3,(H,26,28,31)/t23-/m1/s1.

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

methyl 2-[(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridine-6-carboxylate has a molecular weight of 467.41 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridine-6-carboxylate is sourced from PubChem (CID 58053148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).