4-[[8-(3,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid

C19H12F2N4O2 — CID 59199040

IUPAC4-[[8-(3,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2nc3c(-c4ccc(F)c(F)c4)cccn3n2)cc1
InChIInChI=1S/C19H12F2N4O2/c20-15-8-5-12(10-16(15)21)14-2-1-9-25-17(14)23-19(24-25)22-13-6-3-11(4-7-13)18(26)27/h1-10H,(H,22,24)(H,26,27)
InChIKeyZTUCFGXBDXKZGG-UHFFFAOYSA-N
MW366.33 g/mol
LogP4.12
Rot. Bonds4

About 4-[[8-(3,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid

4-[[8-(3,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid (PubChem CID 59199040) has the molecular formula C19H12F2N4O2 and a molecular weight of 366.33 g/mol. Its IUPAC name is 4-[[8-(3,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[8-(3,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
PubChem CID59199040
Molecular FormulaC19H12F2N4O2
Molecular Weight366.33 g/mol
Exact Mass366.09
IUPAC Name4-[[8-(3,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2nc3c(-c4ccc(F)c(F)c4)cccn3n2)cc1
InChIInChI=1S/C19H12F2N4O2/c20-15-8-5-12(10-16(15)21)14-2-1-9-25-17(14)23-19(24-25)22-13-6-3-11(4-7-13)18(26)27/h1-10H,(H,22,24)(H,26,27)
InChIKeyZTUCFGXBDXKZGG-UHFFFAOYSA-N
XLogP4.12
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.33
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[8-(3,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid with MolForge

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Related Compounds

4-[[8-[3-(hydroxymethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59199047
1-[4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanone
CID 59198950
N-(2-amino-2-methylpropyl)-4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 59199060
4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 44554838
N-(2-aminoethyl)-4-[[8-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 59199039
4-[2-[(1-benzylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzoic acid
CID 68571866
2-[[4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoyl]amino]ethylcarbamic acid
CID 159485043
N-(4-methylphenyl)-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 143916076
N-(2-amino-2-methylpropyl)-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 59198980
2-hydroxy-1-[4-[[8-(4-methylsulfinylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanone
CID 70659865
4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-propan-2-ylbenzamide
CID 44623348
4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzenesulfonamide
CID 59198952

Frequently Asked Questions

What is the IUPAC name of 4-[[8-(3,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid?
The IUPAC name of 4-[[8-(3,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid (CID 59199040) is 4-[[8-(3,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid.
What is the SMILES notation for 4-[[8-(3,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid?
The canonical SMILES for 4-[[8-(3,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid is O=C(O)c1ccc(Nc2nc3c(-c4ccc(F)c(F)c4)cccn3n2)cc1.
What is the InChIKey of 4-[[8-(3,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid?
The InChIKey is ZTUCFGXBDXKZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N4O2/c20-15-8-5-12(10-16(15)21)14-2-1-9-25-17(14)23-19(24-25)22-13-6-3-11(4-7-13)18(26)27/h1-10H,(H,22,24)(H,26,27).
What are the key properties of 4-[[8-(3,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid?
4-[[8-(3,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid has a molecular weight of 366.33 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[8-(3,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid is sourced from PubChem (CID 59199040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).