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-carboxamide

About 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-carboxamide

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-carboxamide (PubChem CID 58053375) has the molecular formula C22H17FN4O6 and a molecular weight of 452.40 g/mol. Its IUPAC name is 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-carboxamide.

Molecular Properties

Compound Name	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-carboxamide
PubChem CID	58053375
Molecular Formula	C22H17FN4O6
Molecular Weight	452.40 g/mol
Exact Mass	452.11
IUPAC Name	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-carboxamide
SMILES	COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4ncc(C(N)=O)cc4o3)CC(=O)NC1=O)C2
InChI	InChI=1S/C22H17FN4O6/c1-32-13-3-2-10-8-27(20(30)17(10)18(13)23)9-22(6-16(28)26-21(22)31)15-5-12-14(33-15)4-11(7-25-12)19(24)29/h2-5,7H,6,8-9H2,1H3,(H2,24,29)(H,26,28,31)/t22-/m1/s1
InChIKey	FYNBRGRXGRVZEW-JOCHJYFZSA-N
XLogP	1.01
TPSA	144.83 Å²
H-Bond Donors	2
H-Bond Acceptors	7
Rotatable Bonds	5
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.40
LogP ≤ 5	1.01
H-Bond Donors ≤ 5	2
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 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-carboxamide?

The IUPAC name of 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-carboxamide (CID 58053375) is 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-carboxamide.

What is the SMILES notation for 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-carboxamide?

The canonical SMILES for 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-carboxamide is COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4ncc(C(N)=O)cc4o3)CC(=O)NC1=O)C2.

What is the InChIKey of 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-carboxamide?

The InChIKey is FYNBRGRXGRVZEW-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H17FN4O6/c1-32-13-3-2-10-8-27(20(30)17(10)18(13)23)9-22(6-16(28)26-21(22)31)15-5-12-14(33-15)4-11(7-25-12)19(24)29/h2-5,7H,6,8-9H2,1H3,(H2,24,29)(H,26,28,31)/t22-/m1/s1.

What are the key properties of 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-carboxamide?

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-carboxamide has a molecular weight of 452.40 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 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-carboxamide is sourced from PubChem (CID 58053375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).