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

C17H12N4O4 — CID 166629817

IUPAC2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-5-carboxylic acid
SMILESO=C(O)c1ccc2oc(CNC(=O)c3cnn4cccnc34)cc2c1
InChIInChI=1S/C17H12N4O4/c22-16(13-9-20-21-5-1-4-18-15(13)21)19-8-12-7-11-6-10(17(23)24)2-3-14(11)25-12/h1-7,9H,8H2,(H,19,22)(H,23,24)
InChIKeyHMDSISJUQIPTNZ-UHFFFAOYSA-N
MW336.31 g/mol
LogP2.10
Rot. Bonds4

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

2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-5-carboxylic acid (PubChem CID 166629817) has the molecular formula C17H12N4O4 and a molecular weight of 336.31 g/mol. Its IUPAC name is 2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-5-carboxylic acid.

Molecular Properties

Compound Name2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-5-carboxylic acid
PubChem CID166629817
Molecular FormulaC17H12N4O4
Molecular Weight336.31 g/mol
Exact Mass336.09
IUPAC Name2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-5-carboxylic acid
SMILESO=C(O)c1ccc2oc(CNC(=O)c3cnn4cccnc34)cc2c1
InChIInChI=1S/C17H12N4O4/c22-16(13-9-20-21-5-1-4-18-15(13)21)19-8-12-7-11-6-10(17(23)24)2-3-14(11)25-12/h1-7,9H,8H2,(H,19,22)(H,23,24)
InChIKeyHMDSISJUQIPTNZ-UHFFFAOYSA-N
XLogP2.10
TPSA109.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-5-carboxylic acid?
The IUPAC name of 2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-5-carboxylic acid (CID 166629817) is 2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-5-carboxylic acid.
What is the SMILES notation for 2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-5-carboxylic acid?
The canonical SMILES for 2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-5-carboxylic acid is O=C(O)c1ccc2oc(CNC(=O)c3cnn4cccnc34)cc2c1.
What is the InChIKey of 2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-5-carboxylic acid?
The InChIKey is HMDSISJUQIPTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O4/c22-16(13-9-20-21-5-1-4-18-15(13)21)19-8-12-7-11-6-10(17(23)24)2-3-14(11)25-12/h1-7,9H,8H2,(H,19,22)(H,23,24).
What are the key properties of 2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-5-carboxylic acid?
2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-5-carboxylic acid has a molecular weight of 336.31 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-5-carboxylic acid is sourced from PubChem (CID 166629817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).