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

C20H16N4O3 — CID 44624425

IUPAC4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
SMILESCOc1ccc(-c2cccc3nc(Nc4ccc(C(=O)O)cc4)nn23)cc1
InChIInChI=1S/C20H16N4O3/c1-27-16-11-7-13(8-12-16)17-3-2-4-18-22-20(23-24(17)18)21-15-9-5-14(6-10-15)19(25)26/h2-12H,1H3,(H,21,23)(H,25,26)
InChIKeyWXPWSRBWEWEAMR-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.85
Rot. Bonds5

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

4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid (PubChem CID 44624425) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is 4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
PubChem CID44624425
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Name4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
SMILESCOc1ccc(-c2cccc3nc(Nc4ccc(C(=O)O)cc4)nn23)cc1
InChIInChI=1S/C20H16N4O3/c1-27-16-11-7-13(8-12-16)17-3-2-4-18-22-20(23-24(17)18)21-15-9-5-14(6-10-15)19(25)26/h2-12H,1H3,(H,21,23)(H,25,26)
InChIKeyWXPWSRBWEWEAMR-UHFFFAOYSA-N
XLogP3.85
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid?
The IUPAC name of 4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid (CID 44624425) is 4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid.
What is the SMILES notation for 4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid?
The canonical SMILES for 4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid is COc1ccc(-c2cccc3nc(Nc4ccc(C(=O)O)cc4)nn23)cc1.
What is the InChIKey of 4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid?
The InChIKey is WXPWSRBWEWEAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c1-27-16-11-7-13(8-12-16)17-3-2-4-18-22-20(23-24(17)18)21-15-9-5-14(6-10-15)19(25)26/h2-12H,1H3,(H,21,23)(H,25,26).
What are the key properties of 4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid?
4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid has a molecular weight of 360.37 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid is sourced from PubChem (CID 44624425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).