7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide

C17H16F3N5O2 — CID 177042786

IUPAC7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
SMILESCc1ccc(O)c(C)c1-c1cn2nc(CC(F)(F)F)nc2c(C(N)=O)c1N
InChIInChI=1S/C17H16F3N5O2/c1-7-3-4-10(26)8(2)12(7)9-6-25-16(13(14(9)21)15(22)27)23-11(24-25)5-17(18,19)20/h3-4,6,26H,5,21H2,1-2H3,(H2,22,27)
InChIKeyYVWPLKAHUICFEA-UHFFFAOYSA-N
MW379.34 g/mol
LogP2.50
Rot. Bonds3

About 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide

7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (PubChem CID 177042786) has the molecular formula C17H16F3N5O2 and a molecular weight of 379.34 g/mol. Its IUPAC name is 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
PubChem CID177042786
Molecular FormulaC17H16F3N5O2
Molecular Weight379.34 g/mol
Exact Mass379.13
IUPAC Name7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
SMILESCc1ccc(O)c(C)c1-c1cn2nc(CC(F)(F)F)nc2c(C(N)=O)c1N
InChIInChI=1S/C17H16F3N5O2/c1-7-3-4-10(26)8(2)12(7)9-6-25-16(13(14(9)21)15(22)27)23-11(24-25)5-17(18,19)20/h3-4,6,26H,5,21H2,1-2H3,(H2,22,27)
InChIKeyYVWPLKAHUICFEA-UHFFFAOYSA-N
XLogP2.50
TPSA119.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(1,3-Dimethylpyrazolo[3,4-b]pyridin-5-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 4884002
(2-hydroxy-5-methylphenyl)(3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 901814
2-{1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carbonyl}-4-fluorophenol
CID 4884010
N-[6-(4-hydroxy-3,5-dimethylphenyl)[1,2,4]triazolo[1,5-a]pyridin-2-yl]Benzamide
CID 150040152
3-[[4-Amino-3-(3-fluoro-4-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-2-(2-fluorophenyl)-8-methylisoquinolin-1-one
CID 135979101
(5-Ethyl-2-hydroxyphenyl)[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanone
CID 17757002
[2-Ethyl-3-(4-fluoro-phenyl)-pyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxy-phenyl)-methanone
CID 1447960
[2-Ethyl-3-(4-fluoro-phenyl)-pyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxy-5-methyl-phenyl)-methanone
CID 1447962
(2-Hydroxy-5-methylphenyl)-(3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridin-5-yl)methanone
CID 7998007
(2-Hydroxy-5-methylphenyl)-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methanone
CID 16375872
[1-(4-Fluorophenyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 16375873
(2-Hydroxy-3,5-dimethylphenyl)-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)methanone
CID 44577967

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The IUPAC name of 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (CID 177042786) is 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide.
What is the SMILES notation for 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The canonical SMILES for 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is Cc1ccc(O)c(C)c1-c1cn2nc(CC(F)(F)F)nc2c(C(N)=O)c1N.
What is the InChIKey of 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The InChIKey is YVWPLKAHUICFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O2/c1-7-3-4-10(26)8(2)12(7)9-6-25-16(13(14(9)21)15(22)27)23-11(24-25)5-17(18,19)20/h3-4,6,26H,5,21H2,1-2H3,(H2,22,27).
What are the key properties of 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide has a molecular weight of 379.34 g/mol, XLogP of 2.50, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is sourced from PubChem (CID 177042786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).