6-hydroxy-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid

C17H12N4O5 — CID 164866752

About 6-hydroxy-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid

6-hydroxy-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid (PubChem CID 164866752) has the molecular formula C17H12N4O5 and a molecular weight of 352.31 g/mol. Its IUPAC name is 6-hydroxy-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid.

Molecular Properties

• Compound Name: 6-hydroxy-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid
• PubChem CID: 164866752
• Molecular Formula: C17H12N4O5
• Molecular Weight: 352.31 g/mol
• Exact Mass: 352.08
• IUPAC Name: 6-hydroxy-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid
• SMILES: O=C(O)c1c(O)ccc2cc(CNC(=O)c3cnn4cccnc34)oc12
• InChI: InChI=1S/C17H12N4O5/c22-12-3-2-9-6-10(26-14(9)13(12)17(24)25)7-19-16(23)11-8-20-21-5-1-4-18-15(11)21/h1-6,8,22H,7H2,(H,19,23)(H,24,25)
• InChIKey: MFAQGDNPNPMXBA-UHFFFAOYSA-N
• XLogP: 1.81
• TPSA: 129.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.31
LogP ≤ 5	1.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid?

The IUPAC name of 6-hydroxy-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid (CID 164866752) is 6-hydroxy-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid.

What is the SMILES notation for 6-hydroxy-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid?

The canonical SMILES for 6-hydroxy-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid is O=C(O)c1c(O)ccc2cc(CNC(=O)c3cnn4cccnc34)oc12.

What is the InChIKey of 6-hydroxy-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid?

The InChIKey is MFAQGDNPNPMXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O5/c22-12-3-2-9-6-10(26-14(9)13(12)17(24)25)7-19-16(23)11-8-20-21-5-1-4-18-15(11)21/h1-6,8,22H,7H2,(H,19,23)(H,24,25).

What are the key properties of 6-hydroxy-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid?

6-hydroxy-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid has a molecular weight of 352.31 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-hydroxy-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid is sourced from PubChem (CID 164866752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).