N-[3-(4-methylpiperazin-1-yl)phenyl]-8-(4-methylsulfonylphenoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C24H26N6O3S — CID 67481409

IUPACN-[3-(4-methylpiperazin-1-yl)phenyl]-8-(4-methylsulfonylphenoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCN1CCN(c2cccc(Nc3nc4c(Oc5ccc(S(C)(=O)=O)cc5)cccn4n3)c2)CC1
InChIInChI=1S/C24H26N6O3S/c1-28-13-15-29(16-14-28)19-6-3-5-18(17-19)25-24-26-23-22(7-4-12-30(23)27-24)33-20-8-10-21(11-9-20)34(2,31)32/h3-12,17H,13-16H2,1-2H3,(H,25,27)
InChIKeyQFUALAPVHOYKQE-UHFFFAOYSA-N
MW478.58 g/mol
LogP3.42
Rot. Bonds6

About N-[3-(4-methylpiperazin-1-yl)phenyl]-8-(4-methylsulfonylphenoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

N-[3-(4-methylpiperazin-1-yl)phenyl]-8-(4-methylsulfonylphenoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 67481409) has the molecular formula C24H26N6O3S and a molecular weight of 478.58 g/mol. Its IUPAC name is N-[3-(4-methylpiperazin-1-yl)phenyl]-8-(4-methylsulfonylphenoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-[3-(4-methylpiperazin-1-yl)phenyl]-8-(4-methylsulfonylphenoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID67481409
Molecular FormulaC24H26N6O3S
Molecular Weight478.58 g/mol
Exact Mass478.18
IUPAC NameN-[3-(4-methylpiperazin-1-yl)phenyl]-8-(4-methylsulfonylphenoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCN1CCN(c2cccc(Nc3nc4c(Oc5ccc(S(C)(=O)=O)cc5)cccn4n3)c2)CC1
InChIInChI=1S/C24H26N6O3S/c1-28-13-15-29(16-14-28)19-6-3-5-18(17-19)25-24-26-23-22(7-4-12-30(23)27-24)33-20-8-10-21(11-9-20)34(2,31)32/h3-12,17H,13-16H2,1-2H3,(H,25,27)
InChIKeyQFUALAPVHOYKQE-UHFFFAOYSA-N
XLogP3.42
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.58
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[3-(4-methylpiperazin-1-yl)phenyl]-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-[3-(4-methylpiperazin-1-yl)phenyl]-8-(4-methylsulfonylphenoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-[3-(4-methylpiperazin-1-yl)phenyl]-8-(4-methylsulfonylphenoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 67481409) is N-[3-(4-methylpiperazin-1-yl)phenyl]-8-(4-methylsulfonylphenoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-[3-(4-methylpiperazin-1-yl)phenyl]-8-(4-methylsulfonylphenoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-[3-(4-methylpiperazin-1-yl)phenyl]-8-(4-methylsulfonylphenoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CN1CCN(c2cccc(Nc3nc4c(Oc5ccc(S(C)(=O)=O)cc5)cccn4n3)c2)CC1.
What is the InChIKey of N-[3-(4-methylpiperazin-1-yl)phenyl]-8-(4-methylsulfonylphenoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is QFUALAPVHOYKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3S/c1-28-13-15-29(16-14-28)19-6-3-5-18(17-19)25-24-26-23-22(7-4-12-30(23)27-24)33-20-8-10-21(11-9-20)34(2,31)32/h3-12,17H,13-16H2,1-2H3,(H,25,27).
What are the key properties of N-[3-(4-methylpiperazin-1-yl)phenyl]-8-(4-methylsulfonylphenoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-[3-(4-methylpiperazin-1-yl)phenyl]-8-(4-methylsulfonylphenoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 478.58 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperazin-1-yl)phenyl]-8-(4-methylsulfonylphenoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 67481409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).