1-(4-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]-5-(1,2,4-triazol-1-yl)pyridin-2-one

C24H24ClN7O — CID 172834296

IUPAC1-(4-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]-5-(1,2,4-triazol-1-yl)pyridin-2-one
SMILESCN1CCN(c2ccc(Nc3cc(-n4cncn4)cn(-c4ccc(Cl)cc4)c3=O)cc2)CC1
InChIInChI=1S/C24H24ClN7O/c1-29-10-12-30(13-11-29)20-8-4-19(5-9-20)28-23-14-22(32-17-26-16-27-32)15-31(24(23)33)21-6-2-18(25)3-7-21/h2-9,14-17,28H,10-13H2,1H3
InChIKeyVYCYDZFRDOWCLY-UHFFFAOYSA-N
MW461.96 g/mol
LogP3.57
Rot. Bonds5

About 1-(4-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]-5-(1,2,4-triazol-1-yl)pyridin-2-one

1-(4-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]-5-(1,2,4-triazol-1-yl)pyridin-2-one (PubChem CID 172834296) has the molecular formula C24H24ClN7O and a molecular weight of 461.96 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]-5-(1,2,4-triazol-1-yl)pyridin-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]-5-(1,2,4-triazol-1-yl)pyridin-2-one
PubChem CID172834296
Molecular FormulaC24H24ClN7O
Molecular Weight461.96 g/mol
Exact Mass461.17
IUPAC Name1-(4-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]-5-(1,2,4-triazol-1-yl)pyridin-2-one
SMILESCN1CCN(c2ccc(Nc3cc(-n4cncn4)cn(-c4ccc(Cl)cc4)c3=O)cc2)CC1
InChIInChI=1S/C24H24ClN7O/c1-29-10-12-30(13-11-29)20-8-4-19(5-9-20)28-23-14-22(32-17-26-16-27-32)15-31(24(23)33)21-6-2-18(25)3-7-21/h2-9,14-17,28H,10-13H2,1H3
InChIKeyVYCYDZFRDOWCLY-UHFFFAOYSA-N
XLogP3.57
TPSA71.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.96
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-(4-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]-5-(1,2,4-triazol-1-yl)pyridin-2-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

methyl 1-(4-chlorophenyl)-4-[4-(4-methylpiperazin-1-yl)anilino]-6-oxopyridazine-3-carboxylate
CID 102358283
N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazol-1-amine
CID 141282705
1,4-bis[4-(1,2,4-triazol-1-yl)phenyl]piperazine
CID 141429794
4-[4-[4-(4-chlorophenyl)piperazin-1-yl]phenyl]-2-methyl-1,2,4-triazol-3-one
CID 58732894
4-(4-chlorophenyl)-N'-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 119147445
3-(4-chlorophenyl)-1-ethyl-4-[4-(4-methylpiperazin-1-yl)anilino]pyrrole-2,5-dione
CID 110599265
5,8-dimethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-6-amine
CID 162646712
2-chloro-5-fluoro-6-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 57489643
2-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 2228389
2-methyl-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-6-carboxylic acid
CID 7138021
(4-methylpiperazin-1-yl)-[5-[4-(4-methylpiperazin-1-yl)anilino]-3-pyridinyl]methanone
CID 109230198
4-amino-6-methyl-3-[4-(4-methylpiperazin-1-yl)anilino]-1,2,4-triazin-5-one
CID 7541198

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]-5-(1,2,4-triazol-1-yl)pyridin-2-one?
The IUPAC name of 1-(4-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]-5-(1,2,4-triazol-1-yl)pyridin-2-one (CID 172834296) is 1-(4-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]-5-(1,2,4-triazol-1-yl)pyridin-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]-5-(1,2,4-triazol-1-yl)pyridin-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]-5-(1,2,4-triazol-1-yl)pyridin-2-one is CN1CCN(c2ccc(Nc3cc(-n4cncn4)cn(-c4ccc(Cl)cc4)c3=O)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]-5-(1,2,4-triazol-1-yl)pyridin-2-one?
The InChIKey is VYCYDZFRDOWCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN7O/c1-29-10-12-30(13-11-29)20-8-4-19(5-9-20)28-23-14-22(32-17-26-16-27-32)15-31(24(23)33)21-6-2-18(25)3-7-21/h2-9,14-17,28H,10-13H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]-5-(1,2,4-triazol-1-yl)pyridin-2-one?
1-(4-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]-5-(1,2,4-triazol-1-yl)pyridin-2-one has a molecular weight of 461.96 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]-5-(1,2,4-triazol-1-yl)pyridin-2-one is sourced from PubChem (CID 172834296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).