(3R)-3-[6-(2-cyclopropylacetyl)furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione

About (3R)-3-[6-(2-cyclopropylacetyl)furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione

(3R)-3-[6-(2-cyclopropylacetyl)furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione (PubChem CID 58053458) has the molecular formula C26H22FN3O6 and a molecular weight of 491.48 g/mol. Its IUPAC name is (3R)-3-[6-(2-cyclopropylacetyl)furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name	(3R)-3-[6-(2-cyclopropylacetyl)furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione
PubChem CID	58053458
Molecular Formula	C26H22FN3O6
Molecular Weight	491.48 g/mol
Exact Mass	491.15
IUPAC Name	(3R)-3-[6-(2-cyclopropylacetyl)furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione
SMILES	COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4ncc(C(=O)CC5CC5)cc4o3)CC(=O)NC1=O)C2
InChI	InChI=1S/C26H22FN3O6/c1-35-18-5-4-14-11-30(24(33)22(14)23(18)27)12-26(9-21(32)29-25(26)34)20-8-16-19(36-20)7-15(10-28-16)17(31)6-13-2-3-13/h4-5,7-8,10,13H,2-3,6,9,11-12H2,1H3,(H,29,32,34)/t26-/m1/s1
InChIKey	HHGSGWXHXZKJQZ-AREMUKBSSA-N
XLogP	2.90
TPSA	118.81 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	7
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.48
LogP ≤ 5	2.90
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 (3R)-3-[6-(2-cyclopropylacetyl)furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione?

The IUPAC name of (3R)-3-[6-(2-cyclopropylacetyl)furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione (CID 58053458) is (3R)-3-[6-(2-cyclopropylacetyl)furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione.

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

The canonical SMILES for (3R)-3-[6-(2-cyclopropylacetyl)furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione is COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4ncc(C(=O)CC5CC5)cc4o3)CC(=O)NC1=O)C2.

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

The InChIKey is HHGSGWXHXZKJQZ-AREMUKBSSA-N. The full InChI is InChI=1S/C26H22FN3O6/c1-35-18-5-4-14-11-30(24(33)22(14)23(18)27)12-26(9-21(32)29-25(26)34)20-8-16-19(36-20)7-15(10-28-16)17(31)6-13-2-3-13/h4-5,7-8,10,13H,2-3,6,9,11-12H2,1H3,(H,29,32,34)/t26-/m1/s1.

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

(3R)-3-[6-(2-cyclopropylacetyl)furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione has a molecular weight of 491.48 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[6-(2-cyclopropylacetyl)furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 58053458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).