6-(4-methylpiperazin-1-yl)sulfonyl-2-(2-phenoxyethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one

C19H23N5O4S — CID 53158043

IUPAC6-(4-methylpiperazin-1-yl)sulfonyl-2-(2-phenoxyethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCN1CCN(S(=O)(=O)c2ccc3nn(CCOc4ccccc4)c(=O)n3c2)CC1
InChIInChI=1S/C19H23N5O4S/c1-21-9-11-22(12-10-21)29(26,27)17-7-8-18-20-24(19(25)23(18)15-17)13-14-28-16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3
InChIKeyIZGHHUFOBCAELO-UHFFFAOYSA-N
MW417.49 g/mol
LogP0.51
Rot. Bonds6

About 6-(4-methylpiperazin-1-yl)sulfonyl-2-(2-phenoxyethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one

6-(4-methylpiperazin-1-yl)sulfonyl-2-(2-phenoxyethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 53158043) has the molecular formula C19H23N5O4S and a molecular weight of 417.49 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)sulfonyl-2-(2-phenoxyethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)sulfonyl-2-(2-phenoxyethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID53158043
Molecular FormulaC19H23N5O4S
Molecular Weight417.49 g/mol
Exact Mass417.15
IUPAC Name6-(4-methylpiperazin-1-yl)sulfonyl-2-(2-phenoxyethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCN1CCN(S(=O)(=O)c2ccc3nn(CCOc4ccccc4)c(=O)n3c2)CC1
InChIInChI=1S/C19H23N5O4S/c1-21-9-11-22(12-10-21)29(26,27)17-7-8-18-20-24(19(25)23(18)15-17)13-14-28-16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3
InChIKeyIZGHHUFOBCAELO-UHFFFAOYSA-N
XLogP0.51
TPSA89.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-(4-methylpiperazin-1-yl)sulfonyl-2-(2-phenoxyethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

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Related Compounds

6-(azepan-1-ylsulfonyl)-2-benzyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 53158007
2-[2-[4-(benzenesulfonyl)phenoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 47045329
2-[(2-methylphenyl)methyl]-6-pyrrolidin-1-ylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 53157954
3-[(3-oxo-6-pyrrolidin-1-ylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzonitrile
CID 53157958
1-(2-phenoxyethyl)-4-(1-propylpyrazol-4-yl)sulfonylpiperazine
CID 131945444
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
1-[4-[4-(3-phenoxypropyl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 9044143
1-(3-chlorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazine
CID 8757842
1-methyl-4-naphthalen-2-ylsulfonylpiperazine
CID 872090
N,N-diethyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 5268282
3-[4-(2-phenoxyethyl)piperazin-1-yl]sulfonylbenzonitrile
CID 9301114
2-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 43061554

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)sulfonyl-2-(2-phenoxyethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 6-(4-methylpiperazin-1-yl)sulfonyl-2-(2-phenoxyethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 53158043) is 6-(4-methylpiperazin-1-yl)sulfonyl-2-(2-phenoxyethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)sulfonyl-2-(2-phenoxyethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)sulfonyl-2-(2-phenoxyethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is CN1CCN(S(=O)(=O)c2ccc3nn(CCOc4ccccc4)c(=O)n3c2)CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)sulfonyl-2-(2-phenoxyethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is IZGHHUFOBCAELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4S/c1-21-9-11-22(12-10-21)29(26,27)17-7-8-18-20-24(19(25)23(18)15-17)13-14-28-16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3.
What are the key properties of 6-(4-methylpiperazin-1-yl)sulfonyl-2-(2-phenoxyethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
6-(4-methylpiperazin-1-yl)sulfonyl-2-(2-phenoxyethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 417.49 g/mol, XLogP of 0.51, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)sulfonyl-2-(2-phenoxyethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 53158043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).