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

C17H11FN4O4 — CID 164866521

IUPAC6-fluoro-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid
SMILESO=C(O)c1c(F)ccc2cc(CNC(=O)c3cnn4cccnc34)oc12
InChIInChI=1S/C17H11FN4O4/c18-12-3-2-9-6-10(26-14(9)13(12)17(24)25)7-20-16(23)11-8-21-22-5-1-4-19-15(11)22/h1-6,8H,7H2,(H,20,23)(H,24,25)
InChIKeyUXJLSAVVQKZRIH-UHFFFAOYSA-N
MW354.30 g/mol
LogP2.24
Rot. Bonds4

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

6-fluoro-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid (PubChem CID 164866521) has the molecular formula C17H11FN4O4 and a molecular weight of 354.30 g/mol. Its IUPAC name is 6-fluoro-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid
PubChem CID164866521
Molecular FormulaC17H11FN4O4
Molecular Weight354.30 g/mol
Exact Mass354.08
IUPAC Name6-fluoro-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid
SMILESO=C(O)c1c(F)ccc2cc(CNC(=O)c3cnn4cccnc34)oc12
InChIInChI=1S/C17H11FN4O4/c18-12-3-2-9-6-10(26-14(9)13(12)17(24)25)7-20-16(23)11-8-21-22-5-1-4-19-15(11)22/h1-6,8H,7H2,(H,20,23)(H,24,25)
InChIKeyUXJLSAVVQKZRIH-UHFFFAOYSA-N
XLogP2.24
TPSA109.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.30
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-fluoro-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-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 6-fluoro-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid?
The IUPAC name of 6-fluoro-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid (CID 164866521) is 6-fluoro-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid.
What is the SMILES notation for 6-fluoro-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid?
The canonical SMILES for 6-fluoro-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid is O=C(O)c1c(F)ccc2cc(CNC(=O)c3cnn4cccnc34)oc12.
What is the InChIKey of 6-fluoro-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid?
The InChIKey is UXJLSAVVQKZRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4O4/c18-12-3-2-9-6-10(26-14(9)13(12)17(24)25)7-20-16(23)11-8-21-22-5-1-4-19-15(11)22/h1-6,8H,7H2,(H,20,23)(H,24,25).
What are the key properties of 6-fluoro-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid?
6-fluoro-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid has a molecular weight of 354.30 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid is sourced from PubChem (CID 164866521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).