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

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

(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(5-imidazol-1-ylfuro[3,2-b]pyridin-2-yl)pyrrolidine-2,5-dione (PubChem CID 58053150) has the molecular formula C24H18FN5O5 and a molecular weight of 475.44 g/mol. Its IUPAC name is (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(5-imidazol-1-ylfuro[3,2-b]pyridin-2-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name	(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(5-imidazol-1-ylfuro[3,2-b]pyridin-2-yl)pyrrolidine-2,5-dione
PubChem CID	58053150
Molecular Formula	C24H18FN5O5
Molecular Weight	475.44 g/mol
Exact Mass	475.13
IUPAC Name	(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(5-imidazol-1-ylfuro[3,2-b]pyridin-2-yl)pyrrolidine-2,5-dione
SMILES	COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(-n5ccnc5)ccc4o3)CC(=O)NC1=O)C2
InChI	InChI=1S/C24H18FN5O5/c1-34-16-3-2-13-10-30(22(32)20(13)21(16)25)11-24(9-19(31)28-23(24)33)17-8-14-15(35-17)4-5-18(27-14)29-7-6-26-12-29/h2-8,12H,9-11H2,1H3,(H,28,31,33)/t24-/m1/s1
InChIKey	ZKRZNMWLIIJFQE-XMMPIXPASA-N
XLogP	2.10
TPSA	119.56 Å²
H-Bond Donors	1
H-Bond Acceptors	8
Rotatable Bonds	5
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.44
LogP ≤ 5	2.10
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 (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(5-imidazol-1-ylfuro[3,2-b]pyridin-2-yl)pyrrolidine-2,5-dione?

The IUPAC name of (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(5-imidazol-1-ylfuro[3,2-b]pyridin-2-yl)pyrrolidine-2,5-dione (CID 58053150) is (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(5-imidazol-1-ylfuro[3,2-b]pyridin-2-yl)pyrrolidine-2,5-dione.

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

The canonical SMILES for (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(5-imidazol-1-ylfuro[3,2-b]pyridin-2-yl)pyrrolidine-2,5-dione is COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(-n5ccnc5)ccc4o3)CC(=O)NC1=O)C2.

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

The InChIKey is ZKRZNMWLIIJFQE-XMMPIXPASA-N. The full InChI is InChI=1S/C24H18FN5O5/c1-34-16-3-2-13-10-30(22(32)20(13)21(16)25)11-24(9-19(31)28-23(24)33)17-8-14-15(35-17)4-5-18(27-14)29-7-6-26-12-29/h2-8,12H,9-11H2,1H3,(H,28,31,33)/t24-/m1/s1.

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

(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(5-imidazol-1-ylfuro[3,2-b]pyridin-2-yl)pyrrolidine-2,5-dione has a molecular weight of 475.44 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 8 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-(5-imidazol-1-ylfuro[3,2-b]pyridin-2-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 58053150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).