3-(4-bromophenyl)sulfonyl-5-(4-pyridin-2-ylpiperazin-1-yl)triazolo[1,5-a]quinazoline

C24H20BrN7O2S — CID 53337476

IUPAC3-(4-bromophenyl)sulfonyl-5-(4-pyridin-2-ylpiperazin-1-yl)triazolo[1,5-a]quinazoline
SMILESO=S(=O)(c1ccc(Br)cc1)c1nnn2c1nc(N1CCN(c3ccccn3)CC1)c1ccccc12
InChIInChI=1S/C24H20BrN7O2S/c25-17-8-10-18(11-9-17)35(33,34)24-23-27-22(19-5-1-2-6-20(19)32(23)29-28-24)31-15-13-30(14-16-31)21-7-3-4-12-26-21/h1-12H,13-16H2
InChIKeyZKFWETSDZRZSPX-UHFFFAOYSA-N
MW550.44 g/mol
LogP3.59
Rot. Bonds4

About 3-(4-bromophenyl)sulfonyl-5-(4-pyridin-2-ylpiperazin-1-yl)triazolo[1,5-a]quinazoline

3-(4-bromophenyl)sulfonyl-5-(4-pyridin-2-ylpiperazin-1-yl)triazolo[1,5-a]quinazoline (PubChem CID 53337476) has the molecular formula C24H20BrN7O2S and a molecular weight of 550.44 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfonyl-5-(4-pyridin-2-ylpiperazin-1-yl)triazolo[1,5-a]quinazoline.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfonyl-5-(4-pyridin-2-ylpiperazin-1-yl)triazolo[1,5-a]quinazoline
PubChem CID53337476
Molecular FormulaC24H20BrN7O2S
Molecular Weight550.44 g/mol
Exact Mass549.06
IUPAC Name3-(4-bromophenyl)sulfonyl-5-(4-pyridin-2-ylpiperazin-1-yl)triazolo[1,5-a]quinazoline
SMILESO=S(=O)(c1ccc(Br)cc1)c1nnn2c1nc(N1CCN(c3ccccn3)CC1)c1ccccc12
InChIInChI=1S/C24H20BrN7O2S/c25-17-8-10-18(11-9-17)35(33,34)24-23-27-22(19-5-1-2-6-20(19)32(23)29-28-24)31-15-13-30(14-16-31)21-7-3-4-12-26-21/h1-12H,13-16H2
InChIKeyZKFWETSDZRZSPX-UHFFFAOYSA-N
XLogP3.59
TPSA96.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.44
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-(4-bromophenyl)sulfonyl-5-(4-pyridin-2-ylpiperazin-1-yl)triazolo[1,5-a]quinazoline 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

3-(benzenesulfonyl)-5-(4-benzylpiperazin-1-yl)triazolo[1,5-a]quinazoline
CID 16807303
5-[(3S)-3-methylpiperidin-1-yl]-3-(4-propan-2-ylphenyl)sulfonyltriazolo[1,5-a]quinazoline
CID 51605756
3-(benzenesulfonyl)triazolo[1,5-a]quinazolin-5-amine
CID 162236162
4-[2-[[3-(4-bromophenyl)sulfonyltriazolo[1,5-a]quinazolin-5-yl]amino]ethyl]benzenesulfonamide
CID 53337478
3-(4-bromophenyl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]triazolo[1,5-a]quinazolin-5-amine
CID 94850602
3-(4-bromophenyl)sulfonyl-N-(4-phenylbutan-2-yl)triazolo[1,5-a]quinazolin-5-amine
CID 18590261
1-[3-(benzenesulfonyl)-7-chlorotriazolo[1,5-a]quinazolin-5-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 16956150
3-(benzenesulfonyl)-N-cyclopropyltriazolo[1,5-a]quinazolin-5-amine
CID 134790991
N-[(1R,2S)-2-methylcyclohexyl]-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine
CID 51605750
3-(4-chlorophenyl)sulfonyl-N-cycloheptyltriazolo[1,5-a]quinazolin-5-amine
CID 18559418
3-(4-methylphenyl)sulfonyl-N-propan-2-yltriazolo[1,5-a]quinazolin-5-amine
CID 7470701
1-chloro-4-pyridin-2-ylpiperazine
CID 130280526

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfonyl-5-(4-pyridin-2-ylpiperazin-1-yl)triazolo[1,5-a]quinazoline?
The IUPAC name of 3-(4-bromophenyl)sulfonyl-5-(4-pyridin-2-ylpiperazin-1-yl)triazolo[1,5-a]quinazoline (CID 53337476) is 3-(4-bromophenyl)sulfonyl-5-(4-pyridin-2-ylpiperazin-1-yl)triazolo[1,5-a]quinazoline.
What is the SMILES notation for 3-(4-bromophenyl)sulfonyl-5-(4-pyridin-2-ylpiperazin-1-yl)triazolo[1,5-a]quinazoline?
The canonical SMILES for 3-(4-bromophenyl)sulfonyl-5-(4-pyridin-2-ylpiperazin-1-yl)triazolo[1,5-a]quinazoline is O=S(=O)(c1ccc(Br)cc1)c1nnn2c1nc(N1CCN(c3ccccn3)CC1)c1ccccc12.
What is the InChIKey of 3-(4-bromophenyl)sulfonyl-5-(4-pyridin-2-ylpiperazin-1-yl)triazolo[1,5-a]quinazoline?
The InChIKey is ZKFWETSDZRZSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrN7O2S/c25-17-8-10-18(11-9-17)35(33,34)24-23-27-22(19-5-1-2-6-20(19)32(23)29-28-24)31-15-13-30(14-16-31)21-7-3-4-12-26-21/h1-12H,13-16H2.
What are the key properties of 3-(4-bromophenyl)sulfonyl-5-(4-pyridin-2-ylpiperazin-1-yl)triazolo[1,5-a]quinazoline?
3-(4-bromophenyl)sulfonyl-5-(4-pyridin-2-ylpiperazin-1-yl)triazolo[1,5-a]quinazoline has a molecular weight of 550.44 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)sulfonyl-5-(4-pyridin-2-ylpiperazin-1-yl)triazolo[1,5-a]quinazoline is sourced from PubChem (CID 53337476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).