4-[[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid

C19H13FN4O2 — CID 59186316

IUPAC4-[[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2nc3cccc(-c4ccc(F)cc4)n3n2)cc1
InChIInChI=1S/C19H13FN4O2/c20-14-8-4-12(5-9-14)16-2-1-3-17-22-19(23-24(16)17)21-15-10-6-13(7-11-15)18(25)26/h1-11H,(H,21,23)(H,25,26)
InChIKeyLGVJKXMSKWRGKO-UHFFFAOYSA-N
MW348.34 g/mol
LogP3.98
Rot. Bonds4

About 4-[[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid

4-[[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid (PubChem CID 59186316) has the molecular formula C19H13FN4O2 and a molecular weight of 348.34 g/mol. Its IUPAC name is 4-[[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
PubChem CID59186316
Molecular FormulaC19H13FN4O2
Molecular Weight348.34 g/mol
Exact Mass348.10
IUPAC Name4-[[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2nc3cccc(-c4ccc(F)cc4)n3n2)cc1
InChIInChI=1S/C19H13FN4O2/c20-14-8-4-12(5-9-14)16-2-1-3-17-22-19(23-24(16)17)21-15-10-6-13(7-11-15)18(25)26/h1-11H,(H,21,23)(H,25,26)
InChIKeyLGVJKXMSKWRGKO-UHFFFAOYSA-N
XLogP3.98
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid?
The IUPAC name of 4-[[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid (CID 59186316) is 4-[[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid.
What is the SMILES notation for 4-[[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid?
The canonical SMILES for 4-[[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid is O=C(O)c1ccc(Nc2nc3cccc(-c4ccc(F)cc4)n3n2)cc1.
What is the InChIKey of 4-[[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid?
The InChIKey is LGVJKXMSKWRGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O2/c20-14-8-4-12(5-9-14)16-2-1-3-17-22-19(23-24(16)17)21-15-10-6-13(7-11-15)18(25)26/h1-11H,(H,21,23)(H,25,26).
What are the key properties of 4-[[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid?
4-[[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid has a molecular weight of 348.34 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid is sourced from PubChem (CID 59186316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).