N-[6-(4-methylpiperazin-1-yl)pyrazin-2-yl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C22H24N8O2S — CID 59612477

IUPACN-[6-(4-methylpiperazin-1-yl)pyrazin-2-yl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCN1CCN(c2cncc(Nc3nc4c(-c5ccc(S(C)(=O)=O)cc5)cccn4n3)n2)CC1
InChIInChI=1S/C22H24N8O2S/c1-28-10-12-29(13-11-28)20-15-23-14-19(24-20)25-22-26-21-18(4-3-9-30(21)27-22)16-5-7-17(8-6-16)33(2,31)32/h3-9,14-15H,10-13H2,1-2H3,(H,24,25,27)
InChIKeyDHBHYZCNWGHILU-UHFFFAOYSA-N
MW464.56 g/mol
LogP2.09
Rot. Bonds5

About N-[6-(4-methylpiperazin-1-yl)pyrazin-2-yl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

N-[6-(4-methylpiperazin-1-yl)pyrazin-2-yl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 59612477) has the molecular formula C22H24N8O2S and a molecular weight of 464.56 g/mol. Its IUPAC name is N-[6-(4-methylpiperazin-1-yl)pyrazin-2-yl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-[6-(4-methylpiperazin-1-yl)pyrazin-2-yl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID59612477
Molecular FormulaC22H24N8O2S
Molecular Weight464.56 g/mol
Exact Mass464.17
IUPAC NameN-[6-(4-methylpiperazin-1-yl)pyrazin-2-yl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCN1CCN(c2cncc(Nc3nc4c(-c5ccc(S(C)(=O)=O)cc5)cccn4n3)n2)CC1
InChIInChI=1S/C22H24N8O2S/c1-28-10-12-29(13-11-28)20-15-23-14-19(24-20)25-22-26-21-18(4-3-9-30(21)27-22)16-5-7-17(8-6-16)33(2,31)32/h3-9,14-15H,10-13H2,1-2H3,(H,24,25,27)
InChIKeyDHBHYZCNWGHILU-UHFFFAOYSA-N
XLogP2.09
TPSA108.62 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.56
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methylpiperazin-1-yl)pyrazin-2-yl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-[6-(4-methylpiperazin-1-yl)pyrazin-2-yl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 59612477) is N-[6-(4-methylpiperazin-1-yl)pyrazin-2-yl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-[6-(4-methylpiperazin-1-yl)pyrazin-2-yl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-[6-(4-methylpiperazin-1-yl)pyrazin-2-yl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CN1CCN(c2cncc(Nc3nc4c(-c5ccc(S(C)(=O)=O)cc5)cccn4n3)n2)CC1.
What is the InChIKey of N-[6-(4-methylpiperazin-1-yl)pyrazin-2-yl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is DHBHYZCNWGHILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O2S/c1-28-10-12-29(13-11-28)20-15-23-14-19(24-20)25-22-26-21-18(4-3-9-30(21)27-22)16-5-7-17(8-6-16)33(2,31)32/h3-9,14-15H,10-13H2,1-2H3,(H,24,25,27).
What are the key properties of N-[6-(4-methylpiperazin-1-yl)pyrazin-2-yl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-[6-(4-methylpiperazin-1-yl)pyrazin-2-yl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 464.56 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methylpiperazin-1-yl)pyrazin-2-yl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 59612477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).