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

C21H16FN3O5 — CID 58053404

IUPAC(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[3,2-b]pyridin-2-ylpyrrolidine-2,5-dione
SMILESCOc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4ncccc4o3)CC(=O)NC1=O)C2
InChIInChI=1S/C21H16FN3O5/c1-29-14-5-4-11-9-25(19(27)17(11)18(14)22)10-21(8-16(26)24-20(21)28)15-7-12-13(30-15)3-2-6-23-12/h2-7H,8-10H2,1H3,(H,24,26,28)/t21-/m1/s1
InChIKeyYUIZLYUUMXCFCG-OAQYLSRUSA-N
MW409.37 g/mol
LogP1.92
Rot. Bonds4

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

(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[3,2-b]pyridin-2-ylpyrrolidine-2,5-dione (PubChem CID 58053404) has the molecular formula C21H16FN3O5 and a molecular weight of 409.37 g/mol. Its IUPAC name is (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[3,2-b]pyridin-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[3,2-b]pyridin-2-ylpyrrolidine-2,5-dione
PubChem CID58053404
Molecular FormulaC21H16FN3O5
Molecular Weight409.37 g/mol
Exact Mass409.11
IUPAC Name(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[3,2-b]pyridin-2-ylpyrrolidine-2,5-dione
SMILESCOc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4ncccc4o3)CC(=O)NC1=O)C2
InChIInChI=1S/C21H16FN3O5/c1-29-14-5-4-11-9-25(19(27)17(11)18(14)22)10-21(8-16(26)24-20(21)28)15-7-12-13(30-15)3-2-6-23-12/h2-7H,8-10H2,1H3,(H,24,26,28)/t21-/m1/s1
InChIKeyYUIZLYUUMXCFCG-OAQYLSRUSA-N
XLogP1.92
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-methylfuro[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione
CID 46198902
(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(3-oxopiperazin-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
CID 46199503
(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1H-pyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
CID 46200599
(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 57561259
(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(7-methylfuro[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione
CID 57561279
(5S)-5-furo[3,2-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 57561293
(5S)-5-furo[2,3-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 57561367
(5S)-5-[5-(2,4-dioxoimidazolidin-1-yl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 58053137
2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-methylfuro[3,2-b]pyridine-6-carboxamide
CID 58053165
(5S)-5-(5-aminofuro[3,2-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 58053190
(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-methylfuro[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione
CID 58053362
(5S)-5-(4,6-dimethylfuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 58053823

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[3,2-b]pyridin-2-ylpyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[3,2-b]pyridin-2-ylpyrrolidine-2,5-dione (CID 58053404) is (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[3,2-b]pyridin-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[3,2-b]pyridin-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[3,2-b]pyridin-2-ylpyrrolidine-2,5-dione is COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4ncccc4o3)CC(=O)NC1=O)C2.
What is the InChIKey of (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[3,2-b]pyridin-2-ylpyrrolidine-2,5-dione?
The InChIKey is YUIZLYUUMXCFCG-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H16FN3O5/c1-29-14-5-4-11-9-25(19(27)17(11)18(14)22)10-21(8-16(26)24-20(21)28)15-7-12-13(30-15)3-2-6-23-12/h2-7H,8-10H2,1H3,(H,24,26,28)/t21-/m1/s1.
What are the key properties of (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[3,2-b]pyridin-2-ylpyrrolidine-2,5-dione?
(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[3,2-b]pyridin-2-ylpyrrolidine-2,5-dione has a molecular weight of 409.37 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[3,2-b]pyridin-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 58053404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).