2-[3-cyano-4-[6-[3-[(6-ethynyl-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxyacetamide

C₂₅H₁₉N₇O₃ — CID 146667872

About 2-[3-cyano-4-[6-[3-[(6-ethynyl-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxyacetamide

2-[3-cyano-4-[6-[3-[(6-ethynyl-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxyacetamide (PubChem CID 146667872) has the molecular formula C₂₅H₁₉N₇O₃ and a molecular weight of 465.47 g/mol. Its IUPAC name is 2-[3-cyano-4-[6-[3-[(6-ethynyl-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxyacetamide.

Molecular Properties

• Compound Name: 2-[3-cyano-4-[6-[3-[(6-ethynyl-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxyacetamide
• PubChem CID: 146667872
• Molecular Formula: C₂₅H₁₉N₇O₃
• Molecular Weight: 465.47 g/mol
• Exact Mass: 465.15
• IUPAC Name: 2-[3-cyano-4-[6-[3-[(6-ethynyl-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxyacetamide
• SMILES: C#Cc1ccc(OC2CN(c3ccc(-c4cc(OCC(N)=O)cn5ncc(C#N)c45)cn3)C2)cn1
• InChI: InChI=1S/C25H19N7O3/c1-2-18-4-5-19(11-28-18)35-21-12-31(13-21)24-6-3-16(9-29-24)22-7-20(34-15-23(27)33)14-32-25(22)17(8-26)10-30-32/h1,3-7,9-11,14,21H,12-13,15H2,(H2,27,33)
• InChIKey: KNWVIZJVWHTHAC-UHFFFAOYSA-N
• XLogP: 1.78
• TPSA: 131.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.47
LogP ≤ 5	1.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-cyano-4-[6-[3-[(6-ethynyl-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxyacetamide?

The IUPAC name of 2-[3-cyano-4-[6-[3-[(6-ethynyl-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxyacetamide (CID 146667872) is 2-[3-cyano-4-[6-[3-[(6-ethynyl-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxyacetamide.

What is the SMILES notation for 2-[3-cyano-4-[6-[3-[(6-ethynyl-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxyacetamide?

The canonical SMILES for 2-[3-cyano-4-[6-[3-[(6-ethynyl-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxyacetamide is C#Cc1ccc(OC2CN(c3ccc(-c4cc(OCC(N)=O)cn5ncc(C#N)c45)cn3)C2)cn1.

What is the InChIKey of 2-[3-cyano-4-[6-[3-[(6-ethynyl-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxyacetamide?

The InChIKey is KNWVIZJVWHTHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N7O3/c1-2-18-4-5-19(11-28-18)35-21-12-31(13-21)24-6-3-16(9-29-24)22-7-20(34-15-23(27)33)14-32-25(22)17(8-26)10-30-32/h1,3-7,9-11,14,21H,12-13,15H2,(H2,27,33).

What are the key properties of 2-[3-cyano-4-[6-[3-[(6-ethynyl-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxyacetamide?

2-[3-cyano-4-[6-[3-[(6-ethynyl-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxyacetamide has a molecular weight of 465.47 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-cyano-4-[6-[3-[(6-ethynyl-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxyacetamide is sourced from PubChem (CID 146667872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 146667872 — identifiers, structure, computed properties (public domain)

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