Fostamatinib

C₂₃H₂₆FN₆O₉P — CID 11671467

About Fostamatinib

Fostamatinib (PubChem CID 11671467) has the molecular formula C₂₃H₂₆FN₆O₉P and a molecular weight of 580.47 g/mol. Its IUPAC name is [6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl]methyl dihydrogen phosphate.

Molecular Properties

• Compound Name: Fostamatinib
• PubChem CID: 11671467
• Molecular Formula: C₂₃H₂₆FN₆O₉P
• Molecular Weight: 580.47 g/mol
• Exact Mass: 580.15
• IUPAC Name: [6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl]methyl dihydrogen phosphate
• SMILES: COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)N(COP(=O)(O)O)C(=O)C(C)(C)O4)n2)cc(OC)c1OC
• InChI: InChI=1S/C23H26FN6O9P/c1-23(2)21(31)30(11-38-40(32,33)34)20-14(39-23)6-7-17(28-20)27-19-13(24)10-25-22(29-19)26-12-8-15(35-3)18(37-5)16(9-12)36-4/h6-10H,11H2,1-5H3,(H2,32,33,34)(H2,25,26,27,28,29)
• InChIKey: GKDRMWXFWHEQQT-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 186.72 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	580.47
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Fostamatinib?

The IUPAC name of Fostamatinib (CID 11671467) is [6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl]methyl dihydrogen phosphate.

What is the SMILES notation for Fostamatinib?

The canonical SMILES for Fostamatinib is COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)N(COP(=O)(O)O)C(=O)C(C)(C)O4)n2)cc(OC)c1OC.

What is the InChIKey of Fostamatinib?

The InChIKey is GKDRMWXFWHEQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN6O9P/c1-23(2)21(31)30(11-38-40(32,33)34)20-14(39-23)6-7-17(28-20)27-19-13(24)10-25-22(29-19)26-12-8-15(35-3)18(37-5)16(9-12)36-4/h6-10H,11H2,1-5H3,(H2,32,33,34)(H2,25,26,27,28,29).

What are the key properties of Fostamatinib?

Fostamatinib has a molecular weight of 580.47 g/mol, XLogP of 3.09, 10 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for Fostamatinib is sourced from PubChem (CID 11671467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 11671467 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 5280 — approved-drug record (CC BY-SA 4.0)

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