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

C16H14F3N5O2 — CID 177042720

IUPAC7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
SMILESCc1ccc(O)c(C)c1-c1cn2nc(C(F)(F)F)nc2c(C(N)=O)c1N
InChIInChI=1S/C16H14F3N5O2/c1-6-3-4-9(25)7(2)10(6)8-5-24-14(11(12(8)20)13(21)26)22-15(23-24)16(17,18)19/h3-5,25H,20H2,1-2H3,(H2,21,26)
InChIKeyWAAMZIIBHPOMKV-UHFFFAOYSA-N
MW365.32 g/mol
LogP2.42
Rot. Bonds2

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

7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (PubChem CID 177042720) has the molecular formula C16H14F3N5O2 and a molecular weight of 365.32 g/mol. Its IUPAC name is 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
PubChem CID177042720
Molecular FormulaC16H14F3N5O2
Molecular Weight365.32 g/mol
Exact Mass365.11
IUPAC Name7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
SMILESCc1ccc(O)c(C)c1-c1cn2nc(C(F)(F)F)nc2c(C(N)=O)c1N
InChIInChI=1S/C16H14F3N5O2/c1-6-3-4-9(25)7(2)10(6)8-5-24-14(11(12(8)20)13(21)26)22-15(23-24)16(17,18)19/h3-5,25H,20H2,1-2H3,(H2,21,26)
InChIKeyWAAMZIIBHPOMKV-UHFFFAOYSA-N
XLogP2.42
TPSA119.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 52.42
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
[1-(4-Fluorophenyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 16375873
4-Methyl-2-[2-(4-methylphenyl)pyrazolo[1,5-A]pyrimidine-6-carbonyl]phenol
CID 44577970
2-Amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 156869560
[3-(4-Fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxyphenyl)methanone
CID 16669041

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The IUPAC name of 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (CID 177042720) is 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-(trifluoromethyl)-[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-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The canonical SMILES for 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is Cc1ccc(O)c(C)c1-c1cn2nc(C(F)(F)F)nc2c(C(N)=O)c1N.
What is the InChIKey of 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The InChIKey is WAAMZIIBHPOMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O2/c1-6-3-4-9(25)7(2)10(6)8-5-24-14(11(12(8)20)13(21)26)22-15(23-24)16(17,18)19/h3-5,25H,20H2,1-2H3,(H2,21,26).
What are the key properties of 7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide has a molecular weight of 365.32 g/mol, XLogP of 2.42, 2 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-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is sourced from PubChem (CID 177042720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).