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

C19H20N4O3 — CID 177042882

IUPACmethyl 7-amino-2-cyclopropyl-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
SMILESCOC(=O)c1c(N)c(-c2c(C)ccc(O)c2C)cn2nc(C3CC3)nc12
InChIInChI=1S/C19H20N4O3/c1-9-4-7-13(24)10(2)14(9)12-8-23-18(15(16(12)20)19(25)26-3)21-17(22-23)11-5-6-11/h4,7-8,11,24H,5-6,20H2,1-3H3
InChIKeyYLSOADWKEUVTFX-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.96
Rot. Bonds3

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

methyl 7-amino-2-cyclopropyl-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate (PubChem CID 177042882) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is methyl 7-amino-2-cyclopropyl-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 7-amino-2-cyclopropyl-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
PubChem CID177042882
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Namemethyl 7-amino-2-cyclopropyl-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
SMILESCOC(=O)c1c(N)c(-c2c(C)ccc(O)c2C)cn2nc(C3CC3)nc12
InChIInChI=1S/C19H20N4O3/c1-9-4-7-13(24)10(2)14(9)12-8-23-18(15(16(12)20)19(25)26-3)21-17(22-23)11-5-6-11/h4,7-8,11,24H,5-6,20H2,1-3H3
InChIKeyYLSOADWKEUVTFX-UHFFFAOYSA-N
XLogP2.96
TPSA102.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 7-amino-2-cyclopropyl-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate with MolForge

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Related Compounds

4-((8-(4-Methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino)benzoic acid
CID 44555004
Ethyl 4-(4-hydroxyanilino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 11267353
4-[(4-methoxybenzyl)amino]-1-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 1481689
7-Cyclohexyl-6-(4-methoxy-2-methyl-phenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 15958154
Ethyl 2-[2-(5-fluoro-2-hydroxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 140762116
ethyl 5-[(2S)-2-(5-fluoro-2-hydroxyphenyl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 164994957
Ethyl 2-(2-fluoro-4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 174236373
7-Amino-6-(2,6-difluoro-3-hydroxyphenyl)-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 177042711
7-Amino-6-(3-hydroxy-2,6-dimethylphenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 177042720
7-Amino-2-(4,4-difluoropiperidin-1-yl)-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 177042748
2-(3-Fluoro-2-pyridinyl)-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 177042781
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

Frequently Asked Questions

What is the IUPAC name of methyl 7-amino-2-cyclopropyl-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
The IUPAC name of methyl 7-amino-2-cyclopropyl-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate (CID 177042882) is methyl 7-amino-2-cyclopropyl-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl 7-amino-2-cyclopropyl-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
The canonical SMILES for methyl 7-amino-2-cyclopropyl-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate is COC(=O)c1c(N)c(-c2c(C)ccc(O)c2C)cn2nc(C3CC3)nc12.
What is the InChIKey of methyl 7-amino-2-cyclopropyl-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
The InChIKey is YLSOADWKEUVTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-9-4-7-13(24)10(2)14(9)12-8-23-18(15(16(12)20)19(25)26-3)21-17(22-23)11-5-6-11/h4,7-8,11,24H,5-6,20H2,1-3H3.
What are the key properties of methyl 7-amino-2-cyclopropyl-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
methyl 7-amino-2-cyclopropyl-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate has a molecular weight of 352.39 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-amino-2-cyclopropyl-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate is sourced from PubChem (CID 177042882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).