N-(3,5-dimethylphenyl)-3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-1-carbothioamide

C24H21N7S — CID 56668912

IUPACN-(3,5-dimethylphenyl)-3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-1-carbothioamide
SMILESCc1cc(C)cc(NC(=S)n2cc(-c3ccc4ncnn4c3)c(-c3cccc(C)n3)n2)c1
InChIInChI=1S/C24H21N7S/c1-15-9-16(2)11-19(10-15)28-24(32)31-13-20(18-7-8-22-25-14-26-30(22)12-18)23(29-31)21-6-4-5-17(3)27-21/h4-14H,1-3H3,(H,28,32)
InChIKeyNTGRBICGXVHAEF-UHFFFAOYSA-N
MW439.55 g/mol
LogP4.83
Rot. Bonds3

About N-(3,5-dimethylphenyl)-3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-1-carbothioamide

N-(3,5-dimethylphenyl)-3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-1-carbothioamide (PubChem CID 56668912) has the molecular formula C24H21N7S and a molecular weight of 439.55 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-1-carbothioamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-1-carbothioamide
PubChem CID56668912
Molecular FormulaC24H21N7S
Molecular Weight439.55 g/mol
Exact Mass439.16
IUPAC NameN-(3,5-dimethylphenyl)-3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-1-carbothioamide
SMILESCc1cc(C)cc(NC(=S)n2cc(-c3ccc4ncnn4c3)c(-c3cccc(C)n3)n2)c1
InChIInChI=1S/C24H21N7S/c1-15-9-16(2)11-19(10-15)28-24(32)31-13-20(18-7-8-22-25-14-26-30(22)12-18)23(29-31)21-6-4-5-17(3)27-21/h4-14H,1-3H3,(H,28,32)
InChIKeyNTGRBICGXVHAEF-UHFFFAOYSA-N
XLogP4.83
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.55
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(3,5-dimethylphenyl)-3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-1-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-1-carbothioamide?
The IUPAC name of N-(3,5-dimethylphenyl)-3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-1-carbothioamide (CID 56668912) is N-(3,5-dimethylphenyl)-3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-1-carbothioamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-1-carbothioamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-1-carbothioamide is Cc1cc(C)cc(NC(=S)n2cc(-c3ccc4ncnn4c3)c(-c3cccc(C)n3)n2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-1-carbothioamide?
The InChIKey is NTGRBICGXVHAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7S/c1-15-9-16(2)11-19(10-15)28-24(32)31-13-20(18-7-8-22-25-14-26-30(22)12-18)23(29-31)21-6-4-5-17(3)27-21/h4-14H,1-3H3,(H,28,32).
What are the key properties of N-(3,5-dimethylphenyl)-3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-1-carbothioamide?
N-(3,5-dimethylphenyl)-3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-1-carbothioamide has a molecular weight of 439.55 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-1-carbothioamide is sourced from PubChem (CID 56668912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).