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

C23H18N6O2 — CID 68571866

IUPAC4-[2-[(1-benzylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cccn3nc(Nc4cnn(Cc5ccccc5)c4)nc23)cc1
InChIInChI=1S/C23H18N6O2/c30-22(31)18-10-8-17(9-11-18)20-7-4-12-29-21(20)26-23(27-29)25-19-13-24-28(15-19)14-16-5-2-1-3-6-16/h1-13,15H,14H2,(H,25,27)(H,30,31)
InChIKeyNVYTVQJNHODUST-UHFFFAOYSA-N
MW410.44 g/mol
LogP4.08
Rot. Bonds6

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

4-[2-[(1-benzylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzoic acid (PubChem CID 68571866) has the molecular formula C23H18N6O2 and a molecular weight of 410.44 g/mol. Its IUPAC name is 4-[2-[(1-benzylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzoic acid.

Molecular Properties

Compound Name4-[2-[(1-benzylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzoic acid
PubChem CID68571866
Molecular FormulaC23H18N6O2
Molecular Weight410.44 g/mol
Exact Mass410.15
IUPAC Name4-[2-[(1-benzylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cccn3nc(Nc4cnn(Cc5ccccc5)c4)nc23)cc1
InChIInChI=1S/C23H18N6O2/c30-22(31)18-10-8-17(9-11-18)20-7-4-12-29-21(20)26-23(27-29)25-19-13-24-28(15-19)14-16-5-2-1-3-6-16/h1-13,15H,14H2,(H,25,27)(H,30,31)
InChIKeyNVYTVQJNHODUST-UHFFFAOYSA-N
XLogP4.08
TPSA97.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[2-[(1-benzylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]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

Related Compounds

4-[[8-[3-(hydroxymethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59199047
4-[[8-(3,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59199040
2-[4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)acetamide
CID 70929544
2-[4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrazol-1-yl]acetic acid
CID 129246813
8-(4-methylsulfonylphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride
CID 68775120
3-[(1-benzylpyrazol-4-yl)amino]-4-methylbenzoic acid
CID 110452864
1-[4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol
CID 91086004
N,N-dimethyl-4-[2-(1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide
CID 90778412
2-hydroxy-1-[4-[[8-(4-methylsulfinylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanone
CID 70659865
2-hydroxy-1-[4-[[8-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanone
CID 70659936
8-(4-methoxyphenyl)-N-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59199089
1-[4-[[8-(1-cyclopentylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-2-hydroxyethanone
CID 70659873

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(1-benzylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzoic acid?
The IUPAC name of 4-[2-[(1-benzylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzoic acid (CID 68571866) is 4-[2-[(1-benzylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzoic acid.
What is the SMILES notation for 4-[2-[(1-benzylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzoic acid?
The canonical SMILES for 4-[2-[(1-benzylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzoic acid is O=C(O)c1ccc(-c2cccn3nc(Nc4cnn(Cc5ccccc5)c4)nc23)cc1.
What is the InChIKey of 4-[2-[(1-benzylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzoic acid?
The InChIKey is NVYTVQJNHODUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O2/c30-22(31)18-10-8-17(9-11-18)20-7-4-12-29-21(20)26-23(27-29)25-19-13-24-28(15-19)14-16-5-2-1-3-6-16/h1-13,15H,14H2,(H,25,27)(H,30,31).
What are the key properties of 4-[2-[(1-benzylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzoic acid?
4-[2-[(1-benzylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzoic acid has a molecular weight of 410.44 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(1-benzylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzoic acid is sourced from PubChem (CID 68571866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).