4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid

C20H16N4O2 — CID 59186532

IUPAC4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
SMILESCc1cccc(-c2cccc3nc(Nc4ccc(C(=O)O)cc4)nn23)c1
InChIInChI=1S/C20H16N4O2/c1-13-4-2-5-15(12-13)17-6-3-7-18-22-20(23-24(17)18)21-16-10-8-14(9-11-16)19(25)26/h2-12H,1H3,(H,21,23)(H,25,26)
InChIKeyXGOSXIUPGINHBN-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.15
Rot. Bonds4

About 4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid

4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid (PubChem CID 59186532) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
PubChem CID59186532
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
SMILESCc1cccc(-c2cccc3nc(Nc4ccc(C(=O)O)cc4)nn23)c1
InChIInChI=1S/C20H16N4O2/c1-13-4-2-5-15(12-13)17-6-3-7-18-22-20(23-24(17)18)21-16-10-8-14(9-11-16)19(25)26/h2-12H,1H3,(H,21,23)(H,25,26)
InChIKeyXGOSXIUPGINHBN-UHFFFAOYSA-N
XLogP4.15
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[5-[3-(propan-2-ylsulfamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59186365
4-[[5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 91017506
N-methyl-4-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide
CID 141394362
4-[[5-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 44624293
3-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzamide
CID 67293656
4-[[5-(3-cyanophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 59276580
5-(4-fluorophenyl)-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 143916172
4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-amino-2-methylpropyl)benzamide
CID 44556160
N-(2-aminoethyl)-4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 44556015
N-(2-methoxyethyl)-4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 59186391
1-[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 91526892
3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid;1-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]ethanone
CID 158772855

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid?
The IUPAC name of 4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid (CID 59186532) is 4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid.
What is the SMILES notation for 4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid?
The canonical SMILES for 4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid is Cc1cccc(-c2cccc3nc(Nc4ccc(C(=O)O)cc4)nn23)c1.
What is the InChIKey of 4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid?
The InChIKey is XGOSXIUPGINHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-13-4-2-5-15(12-13)17-6-3-7-18-22-20(23-24(17)18)21-16-10-8-14(9-11-16)19(25)26/h2-12H,1H3,(H,21,23)(H,25,26).
What are the key properties of 4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid?
4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid has a molecular weight of 344.37 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid is sourced from PubChem (CID 59186532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).