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

C18H18N6O3S — CID 67481390

IUPACN-(1-ethylpyrazol-4-yl)-8-(4-methylsulfonylphenoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCCn1cc(Nc2nc3c(Oc4ccc(S(C)(=O)=O)cc4)cccn3n2)cn1
InChIInChI=1S/C18H18N6O3S/c1-3-23-12-13(11-19-23)20-18-21-17-16(5-4-10-24(17)22-18)27-14-6-8-15(9-7-14)28(2,25)26/h4-12H,3H2,1-2H3,(H,20,22)
InChIKeyKSNFPTLPRIMAQM-UHFFFAOYSA-N
MW398.45 g/mol
LogP2.89
Rot. Bonds6

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

N-(1-ethylpyrazol-4-yl)-8-(4-methylsulfonylphenoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 67481390) has the molecular formula C18H18N6O3S and a molecular weight of 398.45 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-8-(4-methylsulfonylphenoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-8-(4-methylsulfonylphenoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID67481390
Molecular FormulaC18H18N6O3S
Molecular Weight398.45 g/mol
Exact Mass398.12
IUPAC NameN-(1-ethylpyrazol-4-yl)-8-(4-methylsulfonylphenoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCCn1cc(Nc2nc3c(Oc4ccc(S(C)(=O)=O)cc4)cccn3n2)cn1
InChIInChI=1S/C18H18N6O3S/c1-3-23-12-13(11-19-23)20-18-21-17-16(5-4-10-24(17)22-18)27-14-6-8-15(9-7-14)28(2,25)26/h4-12H,3H2,1-2H3,(H,20,22)
InChIKeyKSNFPTLPRIMAQM-UHFFFAOYSA-N
XLogP2.89
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.45
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(1-ethylpyrazol-4-yl)-8-(4-methylsulfonylphenoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-8-(4-methylsulfonylphenoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-8-(4-methylsulfonylphenoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 67481390) is N-(1-ethylpyrazol-4-yl)-8-(4-methylsulfonylphenoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-8-(4-methylsulfonylphenoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-8-(4-methylsulfonylphenoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CCn1cc(Nc2nc3c(Oc4ccc(S(C)(=O)=O)cc4)cccn3n2)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-8-(4-methylsulfonylphenoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is KSNFPTLPRIMAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O3S/c1-3-23-12-13(11-19-23)20-18-21-17-16(5-4-10-24(17)22-18)27-14-6-8-15(9-7-14)28(2,25)26/h4-12H,3H2,1-2H3,(H,20,22).
What are the key properties of N-(1-ethylpyrazol-4-yl)-8-(4-methylsulfonylphenoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-(1-ethylpyrazol-4-yl)-8-(4-methylsulfonylphenoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 398.45 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)-8-(4-methylsulfonylphenoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 67481390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).