(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(pyridin-3-ylamino)furo[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-(pyridin-3-ylamino)furo[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-(pyridin-3-ylamino)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione (PubChem CID 58053409) has the molecular formula C26H20FN5O5 and a molecular weight of 501.47 g/mol. Its IUPAC name is (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(pyridin-3-ylamino)furo[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-(pyridin-3-ylamino)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione
PubChem CID	58053409
Molecular Formula	C26H20FN5O5
Molecular Weight	501.47 g/mol
Exact Mass	501.14
IUPAC Name	(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(pyridin-3-ylamino)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione
SMILES	COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(Nc5cccnc5)ccc4o3)CC(=O)NC1=O)C2
InChI	InChI=1S/C26H20FN5O5/c1-36-18-5-4-14-12-32(24(34)22(14)23(18)27)13-26(10-21(33)31-25(26)35)19-9-16-17(37-19)6-7-20(30-16)29-15-3-2-8-28-11-15/h2-9,11H,10,12-13H2,1H3,(H,29,30)(H,31,33,35)/t26-/m1/s1
InChIKey	YVLHYSNGXALDFD-AREMUKBSSA-N
XLogP	3.05
TPSA	126.66 Å²
H-Bond Donors	2
H-Bond Acceptors	8
Rotatable Bonds	6
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.47
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	2
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-(pyridin-3-ylamino)furo[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-(pyridin-3-ylamino)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione (CID 58053409) is (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(pyridin-3-ylamino)furo[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-(pyridin-3-ylamino)furo[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-(pyridin-3-ylamino)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione is COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(Nc5cccnc5)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-(pyridin-3-ylamino)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione?

The InChIKey is YVLHYSNGXALDFD-AREMUKBSSA-N. The full InChI is InChI=1S/C26H20FN5O5/c1-36-18-5-4-14-12-32(24(34)22(14)23(18)27)13-26(10-21(33)31-25(26)35)19-9-16-17(37-19)6-7-20(30-16)29-15-3-2-8-28-11-15/h2-9,11H,10,12-13H2,1H3,(H,29,30)(H,31,33,35)/t26-/m1/s1.

What are the key properties of (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(pyridin-3-ylamino)furo[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-(pyridin-3-ylamino)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione has a molecular weight of 501.47 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 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-(pyridin-3-ylamino)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 58053409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).