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

C26H20FN5O5 — CID 58053134

About (3R)-3-[5-(6-amino-3-pyridinyl)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-[5-(6-amino-3-pyridinyl)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 58053134) has the molecular formula C26H20FN5O5 and a molecular weight of 501.47 g/mol. Its IUPAC name is (3R)-3-[5-(6-amino-3-pyridinyl)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-[5-(6-amino-3-pyridinyl)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: 58053134
• Molecular Formula: C26H20FN5O5
• Molecular Weight: 501.47 g/mol
• Exact Mass: 501.14
• IUPAC Name: (3R)-3-[5-(6-amino-3-pyridinyl)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(c3cc4nc(-c5ccc(N)nc5)ccc4o3)CC(=O)NC1=O)C2
• InChI: InChI=1S/C26H20FN5O5/c1-36-18-5-2-14-11-32(24(34)22(14)23(18)27)12-26(9-21(33)31-25(26)35)19-8-16-17(37-19)6-4-15(30-16)13-3-7-20(28)29-10-13/h2-8,10H,9,11-12H2,1H3,(H2,28,29)(H,31,33,35)/t26-/m1/s1
• InChIKey: YODALOIWOVGQED-AREMUKBSSA-N
• XLogP: 2.56
• TPSA: 140.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.47
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	2
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-[5-(6-amino-3-pyridinyl)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-[5-(6-amino-3-pyridinyl)furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione (CID 58053134) is (3R)-3-[5-(6-amino-3-pyridinyl)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-[5-(6-amino-3-pyridinyl)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-[5-(6-amino-3-pyridinyl)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(c3cc4nc(-c5ccc(N)nc5)ccc4o3)CC(=O)NC1=O)C2.

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

What are the key properties of (3R)-3-[5-(6-amino-3-pyridinyl)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-[5-(6-amino-3-pyridinyl)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 501.47 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[5-(6-amino-3-pyridinyl)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 58053134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).