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

C18H14N4O4 — CID 164866538

About 4-methyl-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid

4-methyl-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid (PubChem CID 164866538) has the molecular formula C18H14N4O4 and a molecular weight of 350.33 g/mol. Its IUPAC name is 4-methyl-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid.

Molecular Properties

• Compound Name: 4-methyl-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid
• PubChem CID: 164866538
• Molecular Formula: C18H14N4O4
• Molecular Weight: 350.33 g/mol
• Exact Mass: 350.10
• IUPAC Name: 4-methyl-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid
• SMILES: Cc1ccc(C(=O)O)c2oc(CNC(=O)c3cnn4cccnc34)cc12
• InChI: InChI=1S/C18H14N4O4/c1-10-3-4-12(18(24)25)15-13(10)7-11(26-15)8-20-17(23)14-9-21-22-6-2-5-19-16(14)22/h2-7,9H,8H2,1H3,(H,20,23)(H,24,25)
• InChIKey: DZJIAJMGWCTQDQ-UHFFFAOYSA-N
• XLogP: 2.41
• TPSA: 109.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.33
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid?

The IUPAC name of 4-methyl-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid (CID 164866538) is 4-methyl-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid.

What is the SMILES notation for 4-methyl-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid?

The canonical SMILES for 4-methyl-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid is Cc1ccc(C(=O)O)c2oc(CNC(=O)c3cnn4cccnc34)cc12.

What is the InChIKey of 4-methyl-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid?

The InChIKey is DZJIAJMGWCTQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O4/c1-10-3-4-12(18(24)25)15-13(10)7-11(26-15)8-20-17(23)14-9-21-22-6-2-5-19-16(14)22/h2-7,9H,8H2,1H3,(H,20,23)(H,24,25).

What are the key properties of 4-methyl-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid?

4-methyl-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid has a molecular weight of 350.33 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid is sourced from PubChem (CID 164866538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).