8-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one

C20H24FN5O3S — CID 53135220

IUPAC8-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCC(C)Cn1nc2c(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)cccn2c1=O
InChIInChI=1S/C20H24FN5O3S/c1-15(2)14-26-20(27)25-9-3-4-18(19(25)22-26)30(28,29)24-12-10-23(11-13-24)17-7-5-16(21)6-8-17/h3-9,15H,10-14H2,1-2H3
InChIKeyXHPKYOBMZIFQDB-UHFFFAOYSA-N
MW433.51 g/mol
LogP1.80
Rot. Bonds5

About 8-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one

8-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 53135220) has the molecular formula C20H24FN5O3S and a molecular weight of 433.51 g/mol. Its IUPAC name is 8-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name8-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID53135220
Molecular FormulaC20H24FN5O3S
Molecular Weight433.51 g/mol
Exact Mass433.16
IUPAC Name8-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCC(C)Cn1nc2c(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)cccn2c1=O
InChIInChI=1S/C20H24FN5O3S/c1-15(2)14-26-20(27)25-9-3-4-18(19(25)22-26)30(28,29)24-12-10-23(11-13-24)17-7-5-16(21)6-8-17/h3-9,15H,10-14H2,1-2H3
InChIKeyXHPKYOBMZIFQDB-UHFFFAOYSA-N
XLogP1.80
TPSA79.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-(2-methylpropyl)-[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

8-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 53135231
3-ethylsulfanyl-8-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-[1,2,4]triazolo[4,3-a]pyridine
CID 50841021
1-(3-tert-butyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 42283768
2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylaniline
CID 129451972
2-[(2-chlorophenyl)methyl]-8-pyrrolidin-1-ylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 53135131
tert-butyl 2-(3-oxo-8-piperidin-1-ylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetate
CID 53135144
1-(benzenesulfonyl)-4-(4-fluorophenyl)piperazine
CID 779709
1-(4-ethylcyclohexa-1,3-dien-1-yl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 3127203
1-(4-fluorophenyl)-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperazine
CID 53075855
1-(4-bromo-2,5-dimethylphenyl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 1184061
5-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylphenyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 50841991
N-butan-2-yl-4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzamide
CID 55334658

Frequently Asked Questions

What is the IUPAC name of 8-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 8-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 53135220) is 8-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 8-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 8-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is CC(C)Cn1nc2c(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)cccn2c1=O.
What is the InChIKey of 8-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is XHPKYOBMZIFQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O3S/c1-15(2)14-26-20(27)25-9-3-4-18(19(25)22-26)30(28,29)24-12-10-23(11-13-24)17-7-5-16(21)6-8-17/h3-9,15H,10-14H2,1-2H3.
What are the key properties of 8-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
8-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 433.51 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 53135220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).