N-(4-methoxyphenyl)-8-(1-methylsulfonylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C17H16N6O3S — CID 67478967

IUPACN-(4-methoxyphenyl)-8-(1-methylsulfonylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccc(Nc2nc3c(-c4cnn(S(C)(=O)=O)c4)cccn3n2)cc1
InChIInChI=1S/C17H16N6O3S/c1-26-14-7-5-13(6-8-14)19-17-20-16-15(4-3-9-22(16)21-17)12-10-18-23(11-12)27(2,24)25/h3-11H,1-2H3,(H,19,21)
InChIKeyOVNJGZGWZIASDU-UHFFFAOYSA-N
MW384.42 g/mol
LogP2.15
Rot. Bonds5

About N-(4-methoxyphenyl)-8-(1-methylsulfonylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

N-(4-methoxyphenyl)-8-(1-methylsulfonylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 67478967) has the molecular formula C17H16N6O3S and a molecular weight of 384.42 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-8-(1-methylsulfonylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-8-(1-methylsulfonylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID67478967
Molecular FormulaC17H16N6O3S
Molecular Weight384.42 g/mol
Exact Mass384.10
IUPAC NameN-(4-methoxyphenyl)-8-(1-methylsulfonylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccc(Nc2nc3c(-c4cnn(S(C)(=O)=O)c4)cccn3n2)cc1
InChIInChI=1S/C17H16N6O3S/c1-26-14-7-5-13(6-8-14)19-17-20-16-15(4-3-9-22(16)21-17)12-10-18-23(11-12)27(2,24)25/h3-11H,1-2H3,(H,19,21)
InChIKeyOVNJGZGWZIASDU-UHFFFAOYSA-N
XLogP2.15
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-8-(1-methylsulfonylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-(4-methoxyphenyl)-8-(1-methylsulfonylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 67478967) is N-(4-methoxyphenyl)-8-(1-methylsulfonylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-8-(1-methylsulfonylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-(4-methoxyphenyl)-8-(1-methylsulfonylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is COc1ccc(Nc2nc3c(-c4cnn(S(C)(=O)=O)c4)cccn3n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-8-(1-methylsulfonylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is OVNJGZGWZIASDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O3S/c1-26-14-7-5-13(6-8-14)19-17-20-16-15(4-3-9-22(16)21-17)12-10-18-23(11-12)27(2,24)25/h3-11H,1-2H3,(H,19,21).
What are the key properties of N-(4-methoxyphenyl)-8-(1-methylsulfonylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-(4-methoxyphenyl)-8-(1-methylsulfonylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 384.42 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-8-(1-methylsulfonylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 67478967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).