2-[(2,5-dimethylphenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

C24H36N6O2 — CID 146072139

IUPAC2-[(2,5-dimethylphenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCc1ccc(C)c(Cn2nc3n(c2=O)CCCC3C(=O)NCCCN2CCN(C)CC2)c1
InChIInChI=1S/C24H36N6O2/c1-18-7-8-19(2)20(16-18)17-30-24(32)29-11-4-6-21(22(29)26-30)23(31)25-9-5-10-28-14-12-27(3)13-15-28/h7-8,16,21H,4-6,9-15,17H2,1-3H3,(H,25,31)
InChIKeyQHXPDOOPLXQEDS-UHFFFAOYSA-N
MW440.59 g/mol
LogP1.34
Rot. Bonds7

About 2-[(2,5-dimethylphenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

2-[(2,5-dimethylphenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (PubChem CID 146072139) has the molecular formula C24H36N6O2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
PubChem CID146072139
Molecular FormulaC24H36N6O2
Molecular Weight440.59 g/mol
Exact Mass440.29
IUPAC Name2-[(2,5-dimethylphenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCc1ccc(C)c(Cn2nc3n(c2=O)CCCC3C(=O)NCCCN2CCN(C)CC2)c1
InChIInChI=1S/C24H36N6O2/c1-18-7-8-19(2)20(16-18)17-30-24(32)29-11-4-6-21(22(29)26-30)23(31)25-9-5-10-28-14-12-27(3)13-15-28/h7-8,16,21H,4-6,9-15,17H2,1-3H3,(H,25,31)
InChIKeyQHXPDOOPLXQEDS-UHFFFAOYSA-N
XLogP1.34
TPSA75.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[(2,5-dimethylphenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide 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

2-[(2,5-dimethylphenyl)methyl]-3-oxo-N-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 146070920
N-(cyclopropylmethyl)-2-[(2,5-dimethylphenyl)methyl]-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 146073569
N-(2,2-difluoroethyl)-2-[(2,5-dimethylphenyl)methyl]-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 146072135
2-[(2,5-dimethylphenyl)methyl]-3-oxo-N-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 146072114
2-[(2,5-dimethylphenyl)methyl]-3-oxo-N-(pyrazin-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 146072133
2-[(2-chloro-4-fluorophenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 146073590
2-[(2-chloro-6-fluorophenyl)methyl]-N-(3-methoxypropyl)-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 146072202
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide
CID 166299989
2-[(2-chloro-4-fluorophenyl)methyl]-N-(2,4-difluorophenyl)-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 146072230
N-[2-[7-[(2,5-dimethylphenyl)methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]-1-methylpiperidine-3-carboxamide
CID 45224450
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]cyclobutanecarboxamide
CID 38440971
1-[(2,4-dimethylphenyl)methyl]-2-methyl-3-[4-(4-methylpiperazin-1-yl)butyl]guanidine
CID 111938119

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (CID 146072139) is 2-[(2,5-dimethylphenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The canonical SMILES for 2-[(2,5-dimethylphenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is Cc1ccc(C)c(Cn2nc3n(c2=O)CCCC3C(=O)NCCCN2CCN(C)CC2)c1.
What is the InChIKey of 2-[(2,5-dimethylphenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The InChIKey is QHXPDOOPLXQEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N6O2/c1-18-7-8-19(2)20(16-18)17-30-24(32)29-11-4-6-21(22(29)26-30)23(31)25-9-5-10-28-14-12-27(3)13-15-28/h7-8,16,21H,4-6,9-15,17H2,1-3H3,(H,25,31).
What are the key properties of 2-[(2,5-dimethylphenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
2-[(2,5-dimethylphenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide has a molecular weight of 440.59 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is sourced from PubChem (CID 146072139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).