4-methyl-1-[3-[[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]piperazin-2-one

C24H24N6O3S — CID 59612385

IUPAC4-methyl-1-[3-[[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]piperazin-2-one
SMILESCN1CCN(c2cccc(Nc3nc4c(-c5ccc(S(C)(=O)=O)cc5)cccn4n3)c2)C(=O)C1
InChIInChI=1S/C24H24N6O3S/c1-28-13-14-29(22(31)16-28)19-6-3-5-18(15-19)25-24-26-23-21(7-4-12-30(23)27-24)17-8-10-20(11-9-17)34(2,32)33/h3-12,15H,13-14,16H2,1-2H3,(H,25,27)
InChIKeyCZASFPNJDJJMSS-UHFFFAOYSA-N
MW476.56 g/mol
LogP2.82
Rot. Bonds5

About 4-methyl-1-[3-[[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]piperazin-2-one

4-methyl-1-[3-[[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]piperazin-2-one (PubChem CID 59612385) has the molecular formula C24H24N6O3S and a molecular weight of 476.56 g/mol. Its IUPAC name is 4-methyl-1-[3-[[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]piperazin-2-one.

Molecular Properties

Compound Name4-methyl-1-[3-[[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]piperazin-2-one
PubChem CID59612385
Molecular FormulaC24H24N6O3S
Molecular Weight476.56 g/mol
Exact Mass476.16
IUPAC Name4-methyl-1-[3-[[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]piperazin-2-one
SMILESCN1CCN(c2cccc(Nc3nc4c(-c5ccc(S(C)(=O)=O)cc5)cccn4n3)c2)C(=O)C1
InChIInChI=1S/C24H24N6O3S/c1-28-13-14-29(22(31)16-28)19-6-3-5-18(15-19)25-24-26-23-21(7-4-12-30(23)27-24)17-8-10-20(11-9-17)34(2,32)33/h3-12,15H,13-14,16H2,1-2H3,(H,25,27)
InChIKeyCZASFPNJDJJMSS-UHFFFAOYSA-N
XLogP2.82
TPSA99.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[3-[[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]piperazin-2-one?
The IUPAC name of 4-methyl-1-[3-[[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]piperazin-2-one (CID 59612385) is 4-methyl-1-[3-[[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]piperazin-2-one.
What is the SMILES notation for 4-methyl-1-[3-[[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]piperazin-2-one?
The canonical SMILES for 4-methyl-1-[3-[[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]piperazin-2-one is CN1CCN(c2cccc(Nc3nc4c(-c5ccc(S(C)(=O)=O)cc5)cccn4n3)c2)C(=O)C1.
What is the InChIKey of 4-methyl-1-[3-[[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]piperazin-2-one?
The InChIKey is CZASFPNJDJJMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3S/c1-28-13-14-29(22(31)16-28)19-6-3-5-18(15-19)25-24-26-23-21(7-4-12-30(23)27-24)17-8-10-20(11-9-17)34(2,32)33/h3-12,15H,13-14,16H2,1-2H3,(H,25,27).
What are the key properties of 4-methyl-1-[3-[[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]piperazin-2-one?
4-methyl-1-[3-[[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]piperazin-2-one has a molecular weight of 476.56 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[3-[[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]piperazin-2-one is sourced from PubChem (CID 59612385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).