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

C25H23N7O3 — CID 138594920

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

N-[4-(2-methoxyethoxy)phenyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide (PubChem CID 138594920) has the molecular formula C25H23N7O3 and a molecular weight of 469.51 g/mol. Its IUPAC name is N-[4-(2-methoxyethoxy)phenyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-(2-methoxyethoxy)phenyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide
• PubChem CID: 138594920
• Molecular Formula: C25H23N7O3
• Molecular Weight: 469.51 g/mol
• Exact Mass: 469.19
• IUPAC Name: N-[4-(2-methoxyethoxy)phenyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide
• SMILES: COCCOc1ccc(NC(=O)c2cc(-c3ccc4ncnn4c3)n(-c3cccc(C)n3)n2)cc1
• InChI: InChI=1S/C25H23N7O3/c1-17-4-3-5-24(28-17)32-22(18-6-11-23-26-16-27-31(23)15-18)14-21(30-32)25(33)29-19-7-9-20(10-8-19)35-13-12-34-2/h3-11,14-16H,12-13H2,1-2H3,(H,29,33)
• InChIKey: KTHOIEPQEDWZCL-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 108.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.51
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyethoxy)phenyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide?

The IUPAC name of N-[4-(2-methoxyethoxy)phenyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide (CID 138594920) is N-[4-(2-methoxyethoxy)phenyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide.

What is the SMILES notation for N-[4-(2-methoxyethoxy)phenyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide?

The canonical SMILES for N-[4-(2-methoxyethoxy)phenyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide is COCCOc1ccc(NC(=O)c2cc(-c3ccc4ncnn4c3)n(-c3cccc(C)n3)n2)cc1.

What is the InChIKey of N-[4-(2-methoxyethoxy)phenyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide?

The InChIKey is KTHOIEPQEDWZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O3/c1-17-4-3-5-24(28-17)32-22(18-6-11-23-26-16-27-31(23)15-18)14-21(30-32)25(33)29-19-7-9-20(10-8-19)35-13-12-34-2/h3-11,14-16H,12-13H2,1-2H3,(H,29,33).

What are the key properties of N-[4-(2-methoxyethoxy)phenyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide?

N-[4-(2-methoxyethoxy)phenyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide has a molecular weight of 469.51 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2-methoxyethoxy)phenyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 138594920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).