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

C24H18FN5O5 — CID 58053446

About (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(5-pyrazol-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-pyrazol-1-ylfuro[3,2-b]pyridin-2-yl)pyrrolidine-2,5-dione (PubChem CID 58053446) 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-pyrazol-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-pyrazol-1-ylfuro[3,2-b]pyridin-2-yl)pyrrolidine-2,5-dione
• PubChem CID: 58053446
• 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-pyrazol-1-ylfuro[3,2-b]pyridin-2-yl)pyrrolidine-2,5-dione
• SMILES: COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(-n5cccn5)ccc4o3)CC(=O)NC1=O)C2
• InChI: InChI=1S/C24H18FN5O5/c1-34-16-4-3-13-11-29(22(32)20(13)21(16)25)12-24(10-19(31)28-23(24)33)17-9-14-15(35-17)5-6-18(27-14)30-8-2-7-26-30/h2-9H,10-12H2,1H3,(H,28,31,33)/t24-/m1/s1
• InChIKey: DTBZKFYMKPWYBR-XMMPIXPASA-N
• XLogP: 2.10
• TPSA: 119.56 Ų
• 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'}

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(5-pyrazol-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-pyrazol-1-ylfuro[3,2-b]pyridin-2-yl)pyrrolidine-2,5-dione (CID 58053446) is (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(5-pyrazol-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-pyrazol-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-pyrazol-1-ylfuro[3,2-b]pyridin-2-yl)pyrrolidine-2,5-dione is COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(-n5cccn5)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-pyrazol-1-ylfuro[3,2-b]pyridin-2-yl)pyrrolidine-2,5-dione?

The InChIKey is DTBZKFYMKPWYBR-XMMPIXPASA-N. The full InChI is InChI=1S/C24H18FN5O5/c1-34-16-4-3-13-11-29(22(32)20(13)21(16)25)12-24(10-19(31)28-23(24)33)17-9-14-15(35-17)5-6-18(27-14)30-8-2-7-26-30/h2-9H,10-12H2,1H3,(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-pyrazol-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-pyrazol-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-pyrazol-1-ylfuro[3,2-b]pyridin-2-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 58053446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).