2-[6-(4-cyanophenyl)-8-methoxy-5-(4-methylphenyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide

C23H19N5O3 — CID 144996703

IUPAC2-[6-(4-cyanophenyl)-8-methoxy-5-(4-methylphenyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide
SMILESCOc1cc(-c2ccc(C#N)cc2)c(-c2ccc(C)cc2)n2c(=O)n(CC(N)=O)nc12
InChIInChI=1S/C23H19N5O3/c1-14-3-7-17(8-4-14)21-18(16-9-5-15(12-24)6-10-16)11-19(31-2)22-26-27(13-20(25)29)23(30)28(21)22/h3-11H,13H2,1-2H3,(H2,25,29)
InChIKeyGMNVDVYFUVZSTR-UHFFFAOYSA-N
MW413.44 g/mol
LogP2.50
Rot. Bonds5

About 2-[6-(4-cyanophenyl)-8-methoxy-5-(4-methylphenyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide

2-[6-(4-cyanophenyl)-8-methoxy-5-(4-methylphenyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide (PubChem CID 144996703) has the molecular formula C23H19N5O3 and a molecular weight of 413.44 g/mol. Its IUPAC name is 2-[6-(4-cyanophenyl)-8-methoxy-5-(4-methylphenyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide.

Molecular Properties

Compound Name2-[6-(4-cyanophenyl)-8-methoxy-5-(4-methylphenyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide
PubChem CID144996703
Molecular FormulaC23H19N5O3
Molecular Weight413.44 g/mol
Exact Mass413.15
IUPAC Name2-[6-(4-cyanophenyl)-8-methoxy-5-(4-methylphenyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide
SMILESCOc1cc(-c2ccc(C#N)cc2)c(-c2ccc(C)cc2)n2c(=O)n(CC(N)=O)nc12
InChIInChI=1S/C23H19N5O3/c1-14-3-7-17(8-4-14)21-18(16-9-5-15(12-24)6-10-16)11-19(31-2)22-26-27(13-20(25)29)23(30)28(21)22/h3-11H,13H2,1-2H3,(H2,25,29)
InChIKeyGMNVDVYFUVZSTR-UHFFFAOYSA-N
XLogP2.50
TPSA115.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[6-(4-cyanophenyl)-8-methoxy-5-(4-methylphenyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide 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-[5-(4-methylphenyl)-2-[(1-methylpyrazol-3-yl)methyl]-3-oxo-8-[[(3R)-pyrrolidin-3-yl]methoxy]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzonitrile
CID 118644249
2-[4-methyl-3-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]acetamide
CID 143582191
4-[5-[4-(1-hydroxyethyl)phenyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile
CID 144996974
2-fluoro-4-[8-methoxy-5-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzonitrile;pyrrolidine
CID 144996698
4-(3,4-dimethoxyphenyl)benzonitrile
CID 11195791
ethyl 5-cyano-2-methoxybenzoate
CID 117275313
N-(3,4-dimethoxyphenyl)-2-[10-(4-methylphenyl)-5-oxo-12-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,10-tetraen-4-yl]acetamide
CID 50826252
N-(2,5-dimethoxyphenyl)-2-[4-(4-methylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide
CID 53028451
4-[4-[4-(4-benzoylphenyl)-3-methylphenyl]-2-methoxyphenyl]benzonitrile
CID 71131321
ethyl 3-(4-cyanophenyl)-5-(4-methylphenyl)-1H-pyrrole-2-carboxylate
CID 126601198
6-(4-cyanophenyl)-5-(4-methylphenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid
CID 118645877
2-[5-ethyl-3-methoxy-4-(4-methylphenoxy)pyrazol-1-yl]acetamide
CID 143309861

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-cyanophenyl)-8-methoxy-5-(4-methylphenyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide?
The IUPAC name of 2-[6-(4-cyanophenyl)-8-methoxy-5-(4-methylphenyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide (CID 144996703) is 2-[6-(4-cyanophenyl)-8-methoxy-5-(4-methylphenyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide.
What is the SMILES notation for 2-[6-(4-cyanophenyl)-8-methoxy-5-(4-methylphenyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide?
The canonical SMILES for 2-[6-(4-cyanophenyl)-8-methoxy-5-(4-methylphenyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide is COc1cc(-c2ccc(C#N)cc2)c(-c2ccc(C)cc2)n2c(=O)n(CC(N)=O)nc12.
What is the InChIKey of 2-[6-(4-cyanophenyl)-8-methoxy-5-(4-methylphenyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide?
The InChIKey is GMNVDVYFUVZSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O3/c1-14-3-7-17(8-4-14)21-18(16-9-5-15(12-24)6-10-16)11-19(31-2)22-26-27(13-20(25)29)23(30)28(21)22/h3-11H,13H2,1-2H3,(H2,25,29).
What are the key properties of 2-[6-(4-cyanophenyl)-8-methoxy-5-(4-methylphenyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide?
2-[6-(4-cyanophenyl)-8-methoxy-5-(4-methylphenyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide has a molecular weight of 413.44 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-cyanophenyl)-8-methoxy-5-(4-methylphenyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide is sourced from PubChem (CID 144996703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).