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

C24H19FN6O5 — CID 58053680

About (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1H-pyrazol-4-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-(1H-pyrazol-4-ylamino)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione (PubChem CID 58053680) has the molecular formula C24H19FN6O5 and a molecular weight of 490.45 g/mol. Its IUPAC name is (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1H-pyrazol-4-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-(1H-pyrazol-4-ylamino)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione
• PubChem CID: 58053680
• Molecular Formula: C24H19FN6O5
• Molecular Weight: 490.45 g/mol
• Exact Mass: 490.14
• IUPAC Name: (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1H-pyrazol-4-ylamino)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione
• SMILES: COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(Nc5cn[nH]c5)ccc4o3)CC(=O)NC1=O)C2
• InChI: InChI=1S/C24H19FN6O5/c1-35-16-3-2-12-10-31(22(33)20(12)21(16)25)11-24(7-19(32)30-23(24)34)17-6-14-15(36-17)4-5-18(29-14)28-13-8-26-27-9-13/h2-6,8-9H,7,10-11H2,1H3,(H,26,27)(H,28,29)(H,30,32,34)/t24-/m1/s1
• InChIKey: DOWAVHBFQPWIAW-XMMPIXPASA-N
• XLogP: 2.38
• TPSA: 142.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.45
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1H-pyrazol-4-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-(1H-pyrazol-4-ylamino)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione (CID 58053680) is (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1H-pyrazol-4-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-(1H-pyrazol-4-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-(1H-pyrazol-4-ylamino)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione is COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(Nc5cn[nH]c5)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-(1H-pyrazol-4-ylamino)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione?

The InChIKey is DOWAVHBFQPWIAW-XMMPIXPASA-N. The full InChI is InChI=1S/C24H19FN6O5/c1-35-16-3-2-12-10-31(22(33)20(12)21(16)25)11-24(7-19(32)30-23(24)34)17-6-14-15(36-17)4-5-18(29-14)28-13-8-26-27-9-13/h2-6,8-9H,7,10-11H2,1H3,(H,26,27)(H,28,29)(H,30,32,34)/t24-/m1/s1.

What are the key properties of (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1H-pyrazol-4-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-(1H-pyrazol-4-ylamino)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione has a molecular weight of 490.45 g/mol, XLogP of 2.38, 6 rotatable bonds, 3 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-(1H-pyrazol-4-ylamino)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 58053680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).