oxetan-3-yl 5-fluoro-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylate

C20H15FN4O5 — CID 164866823

About oxetan-3-yl 5-fluoro-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylate

oxetan-3-yl 5-fluoro-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylate (PubChem CID 164866823) has the molecular formula C20H15FN4O5 and a molecular weight of 410.36 g/mol. Its IUPAC name is oxetan-3-yl 5-fluoro-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylate.

Molecular Properties

• Compound Name: oxetan-3-yl 5-fluoro-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylate
• PubChem CID: 164866823
• Molecular Formula: C20H15FN4O5
• Molecular Weight: 410.36 g/mol
• Exact Mass: 410.10
• IUPAC Name: oxetan-3-yl 5-fluoro-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylate
• SMILES: O=C(OC1COC1)c1cc(F)cc2cc(CNC(=O)c3cnn4cccnc34)oc12
• InChI: InChI=1S/C20H15FN4O5/c21-12-4-11-5-13(29-17(11)15(6-12)20(27)30-14-9-28-10-14)7-23-19(26)16-8-24-25-3-1-2-22-18(16)25/h1-6,8,14H,7,9-10H2,(H,23,26)
• InChIKey: ZWGXXGDBCKJLKW-UHFFFAOYSA-N
• XLogP: 2.10
• TPSA: 107.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.36
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of oxetan-3-yl 5-fluoro-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylate?

The IUPAC name of oxetan-3-yl 5-fluoro-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylate (CID 164866823) is oxetan-3-yl 5-fluoro-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylate.

What is the SMILES notation for oxetan-3-yl 5-fluoro-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylate?

The canonical SMILES for oxetan-3-yl 5-fluoro-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylate is O=C(OC1COC1)c1cc(F)cc2cc(CNC(=O)c3cnn4cccnc34)oc12.

What is the InChIKey of oxetan-3-yl 5-fluoro-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylate?

The InChIKey is ZWGXXGDBCKJLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O5/c21-12-4-11-5-13(29-17(11)15(6-12)20(27)30-14-9-28-10-14)7-23-19(26)16-8-24-25-3-1-2-22-18(16)25/h1-6,8,14H,7,9-10H2,(H,23,26).

What are the key properties of oxetan-3-yl 5-fluoro-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylate?

oxetan-3-yl 5-fluoro-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylate has a molecular weight of 410.36 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 oxetan-3-yl 5-fluoro-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylate is sourced from PubChem (CID 164866823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).