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

C20H20N6O2 — CID 59198979

IUPAC4-[[8-[1-(2-methylpropyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
SMILESCC(C)Cn1cc(-c2cccn3nc(Nc4ccc(C(=O)O)cc4)nc23)cn1
InChIInChI=1S/C20H20N6O2/c1-13(2)11-25-12-15(10-21-25)17-4-3-9-26-18(17)23-20(24-26)22-16-7-5-14(6-8-16)19(27)28/h3-10,12-13H,11H2,1-2H3,(H,22,24)(H,27,28)
InChIKeyGZVKFWNSJXUBGD-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.69
Rot. Bonds6

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

4-[[8-[1-(2-methylpropyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid (PubChem CID 59198979) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 4-[[8-[1-(2-methylpropyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[8-[1-(2-methylpropyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
PubChem CID59198979
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name4-[[8-[1-(2-methylpropyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
SMILESCC(C)Cn1cc(-c2cccn3nc(Nc4ccc(C(=O)O)cc4)nc23)cn1
InChIInChI=1S/C20H20N6O2/c1-13(2)11-25-12-15(10-21-25)17-4-3-9-26-18(17)23-20(24-26)22-16-7-5-14(6-8-16)19(27)28/h3-10,12-13H,11H2,1-2H3,(H,22,24)(H,27,28)
InChIKeyGZVKFWNSJXUBGD-UHFFFAOYSA-N
XLogP3.69
TPSA97.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[8-[1-(2-methylpropyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic 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 4-[[8-[1-(2-methylpropyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid?
The IUPAC name of 4-[[8-[1-(2-methylpropyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid (CID 59198979) is 4-[[8-[1-(2-methylpropyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid.
What is the SMILES notation for 4-[[8-[1-(2-methylpropyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid?
The canonical SMILES for 4-[[8-[1-(2-methylpropyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid is CC(C)Cn1cc(-c2cccn3nc(Nc4ccc(C(=O)O)cc4)nc23)cn1.
What is the InChIKey of 4-[[8-[1-(2-methylpropyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid?
The InChIKey is GZVKFWNSJXUBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-13(2)11-25-12-15(10-21-25)17-4-3-9-26-18(17)23-20(24-26)22-16-7-5-14(6-8-16)19(27)28/h3-10,12-13H,11H2,1-2H3,(H,22,24)(H,27,28).
What are the key properties of 4-[[8-[1-(2-methylpropyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid?
4-[[8-[1-(2-methylpropyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid has a molecular weight of 376.42 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[8-[1-(2-methylpropyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid is sourced from PubChem (CID 59198979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).