N-(2-methylphenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide

C24H21N7O — CID 138692405

About N-(2-methylphenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide

N-(2-methylphenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide (PubChem CID 138692405) has the molecular formula C24H21N7O and a molecular weight of 423.48 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide.

Molecular Properties

• Compound Name: N-(2-methylphenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide
• PubChem CID: 138692405
• Molecular Formula: C24H21N7O
• Molecular Weight: 423.48 g/mol
• Exact Mass: 423.18
• IUPAC Name: N-(2-methylphenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide
• SMILES: Cc1cccc(-n2nc(CC(=O)Nc3ccccc3C)cc2-c2ccc3ncnn3c2)n1
• InChI: InChI=1S/C24H21N7O/c1-16-6-3-4-8-20(16)28-24(32)13-19-12-21(18-10-11-22-25-15-26-30(22)14-18)31(29-19)23-9-5-7-17(2)27-23/h3-12,14-15H,13H2,1-2H3,(H,28,32)
• InChIKey: IVGCADWUTYBRKQ-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 90.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.48
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide?

The IUPAC name of N-(2-methylphenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide (CID 138692405) is N-(2-methylphenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide.

What is the SMILES notation for N-(2-methylphenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide?

The canonical SMILES for N-(2-methylphenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide is Cc1cccc(-n2nc(CC(=O)Nc3ccccc3C)cc2-c2ccc3ncnn3c2)n1.

What is the InChIKey of N-(2-methylphenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide?

The InChIKey is IVGCADWUTYBRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O/c1-16-6-3-4-8-20(16)28-24(32)13-19-12-21(18-10-11-22-25-15-26-30(22)14-18)31(29-19)23-9-5-7-17(2)27-23/h3-12,14-15H,13H2,1-2H3,(H,28,32).

What are the key properties of N-(2-methylphenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide?

N-(2-methylphenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide has a molecular weight of 423.48 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methylphenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 138692405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).