2-[(2,5-dimethylphenyl)methyl]-8-morpholin-4-ylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-one

C19H22N4O4S — CID 53135204

IUPAC2-[(2,5-dimethylphenyl)methyl]-8-morpholin-4-ylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCc1ccc(C)c(Cn2nc3c(S(=O)(=O)N4CCOCC4)cccn3c2=O)c1
InChIInChI=1S/C19H22N4O4S/c1-14-5-6-15(2)16(12-14)13-23-19(24)22-7-3-4-17(18(22)20-23)28(25,26)21-8-10-27-11-9-21/h3-7,12H,8-11,13H2,1-2H3
InChIKeyKOPYIQRFZCNZKM-UHFFFAOYSA-N
MW402.48 g/mol
LogP1.18
Rot. Bonds4

About 2-[(2,5-dimethylphenyl)methyl]-8-morpholin-4-ylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[(2,5-dimethylphenyl)methyl]-8-morpholin-4-ylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 53135204) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)methyl]-8-morpholin-4-ylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)methyl]-8-morpholin-4-ylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID53135204
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC Name2-[(2,5-dimethylphenyl)methyl]-8-morpholin-4-ylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCc1ccc(C)c(Cn2nc3c(S(=O)(=O)N4CCOCC4)cccn3c2=O)c1
InChIInChI=1S/C19H22N4O4S/c1-14-5-6-15(2)16(12-14)13-23-19(24)22-7-3-4-17(18(22)20-23)28(25,26)21-8-10-27-11-9-21/h3-7,12H,8-11,13H2,1-2H3
InChIKeyKOPYIQRFZCNZKM-UHFFFAOYSA-N
XLogP1.18
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(2,5-dimethylphenyl)methyl]-8-morpholin-4-ylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

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

Launch Full Analysis

Related Compounds

2-butyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 53135194
2-[(2-chlorophenyl)methyl]-8-pyrrolidin-1-ylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 53135131
2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-8-pyrrolidin-1-ylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 53135127
6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-[(2,5-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 53157989
6-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(3-methylphenyl)methyl]pyridazin-3-one
CID 23611730
8-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 53135220
tert-butyl 2-(3-oxo-8-piperidin-1-ylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetate
CID 53135144
4-[4-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfonylmorpholine
CID 91759027
4-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-N-[(2,5-dimethylphenyl)methyl]benzamide
CID 53139562
3-(2,4-dimethylphenyl)sulfonyl-1,3-oxazolidine
CID 110740045
N-(2,5-dimethylphenyl)-N-ethyl-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 55592874
4-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]sulfonylmorpholine
CID 8668021

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-8-morpholin-4-ylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-8-morpholin-4-ylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 53135204) is 2-[(2,5-dimethylphenyl)methyl]-8-morpholin-4-ylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)methyl]-8-morpholin-4-ylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[(2,5-dimethylphenyl)methyl]-8-morpholin-4-ylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-one is Cc1ccc(C)c(Cn2nc3c(S(=O)(=O)N4CCOCC4)cccn3c2=O)c1.
What is the InChIKey of 2-[(2,5-dimethylphenyl)methyl]-8-morpholin-4-ylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is KOPYIQRFZCNZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S/c1-14-5-6-15(2)16(12-14)13-23-19(24)22-7-3-4-17(18(22)20-23)28(25,26)21-8-10-27-11-9-21/h3-7,12H,8-11,13H2,1-2H3.
What are the key properties of 2-[(2,5-dimethylphenyl)methyl]-8-morpholin-4-ylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[(2,5-dimethylphenyl)methyl]-8-morpholin-4-ylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 402.48 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)methyl]-8-morpholin-4-ylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 53135204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).