1-[4-[2-chloro-4-[(5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]piperazin-1-yl]ethanone

C24H24ClN7O — CID 22433897

IUPAC1-[4-[2-chloro-4-[(5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(Nc3cc(C)nc4nc(-c5ccccc5)nn34)cc2Cl)CC1
InChIInChI=1S/C24H24ClN7O/c1-16-14-22(32-24(26-16)28-23(29-32)18-6-4-3-5-7-18)27-19-8-9-21(20(25)15-19)31-12-10-30(11-13-31)17(2)33/h3-9,14-15,27H,10-13H2,1-2H3
InChIKeyUVYPZYYDBZDYOW-UHFFFAOYSA-N
MW461.96 g/mol
LogP4.17
Rot. Bonds4

About 1-[4-[2-chloro-4-[(5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]piperazin-1-yl]ethanone

1-[4-[2-chloro-4-[(5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]piperazin-1-yl]ethanone (PubChem CID 22433897) has the molecular formula C24H24ClN7O and a molecular weight of 461.96 g/mol. Its IUPAC name is 1-[4-[2-chloro-4-[(5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-chloro-4-[(5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]piperazin-1-yl]ethanone
PubChem CID22433897
Molecular FormulaC24H24ClN7O
Molecular Weight461.96 g/mol
Exact Mass461.17
IUPAC Name1-[4-[2-chloro-4-[(5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(Nc3cc(C)nc4nc(-c5ccccc5)nn34)cc2Cl)CC1
InChIInChI=1S/C24H24ClN7O/c1-16-14-22(32-24(26-16)28-23(29-32)18-6-4-3-5-7-18)27-19-8-9-21(20(25)15-19)31-12-10-30(11-13-31)17(2)33/h3-9,14-15,27H,10-13H2,1-2H3
InChIKeyUVYPZYYDBZDYOW-UHFFFAOYSA-N
XLogP4.17
TPSA78.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.96
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 1-[4-[2-chloro-4-[(5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]piperazin-1-yl]ethanone 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

1-[3-[(5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]ethanone
CID 23608422
N-(3-chloro-4-methylphenyl)-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 23608472
(2-fluorophenyl)-[4-[4-[[5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]phenyl]piperazin-1-yl]methanone
CID 22433767
furan-2-yl-[4-[4-[[5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]phenyl]piperazin-1-yl]methanone
CID 22433766
[4-[2-chloro-4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 22434132
N-ethyl-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 20961806
1-[4-[4-(3,4-dichloroanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112915095
[4-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-morpholin-4-ylmethanone
CID 53045960
2-(4-tert-butylphenyl)-N-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 23608530
N-(3-fluorophenyl)-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 22575553
[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 22431925
4-N,4-N-dimethyl-1-N-[5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzene-1,4-diamine
CID 23608663

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-chloro-4-[(5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-chloro-4-[(5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]piperazin-1-yl]ethanone (CID 22433897) is 1-[4-[2-chloro-4-[(5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-chloro-4-[(5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-chloro-4-[(5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccc(Nc3cc(C)nc4nc(-c5ccccc5)nn34)cc2Cl)CC1.
What is the InChIKey of 1-[4-[2-chloro-4-[(5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]piperazin-1-yl]ethanone?
The InChIKey is UVYPZYYDBZDYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN7O/c1-16-14-22(32-24(26-16)28-23(29-32)18-6-4-3-5-7-18)27-19-8-9-21(20(25)15-19)31-12-10-30(11-13-31)17(2)33/h3-9,14-15,27H,10-13H2,1-2H3.
What are the key properties of 1-[4-[2-chloro-4-[(5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]piperazin-1-yl]ethanone?
1-[4-[2-chloro-4-[(5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]piperazin-1-yl]ethanone has a molecular weight of 461.96 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-chloro-4-[(5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 22433897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).