6-ethoxy-4-[6-(2-prop-2-ynoyl-2-azabicyclo[2.2.1]heptan-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-(1-prop-2-ynoylazetidin-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-(1-prop-2-ynoylpyrrolidin-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C67H57N15O6 — CID 164991061

About 6-ethoxy-4-[6-(2-prop-2-ynoyl-2-azabicyclo[2.2.1]heptan-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-(1-prop-2-ynoylazetidin-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-(1-prop-2-ynoylpyrrolidin-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-ethoxy-4-[6-(2-prop-2-ynoyl-2-azabicyclo[2.2.1]heptan-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-(1-prop-2-ynoylazetidin-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-(1-prop-2-ynoylpyrrolidin-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 164991061) has the molecular formula C67H57N15O6 and a molecular weight of 1168.29 g/mol. Its IUPAC name is 6-ethoxy-4-[6-(2-prop-2-ynoyl-2-azabicyclo[2.2.1]heptan-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-(1-prop-2-ynoylazetidin-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-(1-prop-2-ynoylpyrrolidin-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-ethoxy-4-[6-(2-prop-2-ynoyl-2-azabicyclo[2.2.1]heptan-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-(1-prop-2-ynoylazetidin-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-(1-prop-2-ynoylpyrrolidin-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 164991061
• Molecular Formula: C67H57N15O6
• Molecular Weight: 1168.29 g/mol
• Exact Mass: 1167.46
• IUPAC Name: 6-ethoxy-4-[6-(2-prop-2-ynoyl-2-azabicyclo[2.2.1]heptan-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-(1-prop-2-ynoylazetidin-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-(1-prop-2-ynoylpyrrolidin-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: C#CC(=O)N1CC(c2ccc(-c3cc(OCC)cn4ncc(C#N)c34)cn2)C1.C#CC(=O)N1CC2CC1CC2c1ccc(-c2cc(OCC)cn3ncc(C#N)c23)cn1.C#CC(=O)N1CCC(c2ccc(-c3cc(OCC)cn4ncc(C#N)c34)cn2)C1
• InChI: InChI=1S/C24H21N5O2.C22H19N5O2.C21H17N5O2/c1-3-23(30)28-13-16-7-18(28)8-20(16)22-6-5-15(11-26-22)21-9-19(31-4-2)14-29-24(21)17(10-25)12-27-29;1-3-21(28)26-8-7-16(13-26)20-6-5-15(11-24-20)19-9-18(29-4-2)14-27-22(19)17(10-23)12-25-27;1-3-20(27)25-11-16(12-25)19-6-5-14(9-23-19)18-7-17(28-4-2)13-26-21(18)15(8-22)10-24-26/h1,5-6,9,11-12,14,16,18,20H,4,7-8,13H2,2H3;1,5-6,9,11-12,14,16H,4,7-8,13H2,2H3;1,5-7,9-10,13,16H,4,11-12H2,2H3
• InChIKey: GVZOGFGDOAXBBT-UHFFFAOYSA-N
• XLogP: 7.85
• TPSA: 250.56 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1168.29
LogP ≤ 5	7.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-[6-(2-prop-2-ynoyl-2-azabicyclo[2.2.1]heptan-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-(1-prop-2-ynoylazetidin-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-(1-prop-2-ynoylpyrrolidin-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-ethoxy-4-[6-(2-prop-2-ynoyl-2-azabicyclo[2.2.1]heptan-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-(1-prop-2-ynoylazetidin-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-(1-prop-2-ynoylpyrrolidin-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 164991061) is 6-ethoxy-4-[6-(2-prop-2-ynoyl-2-azabicyclo[2.2.1]heptan-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-(1-prop-2-ynoylazetidin-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-(1-prop-2-ynoylpyrrolidin-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-ethoxy-4-[6-(2-prop-2-ynoyl-2-azabicyclo[2.2.1]heptan-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-(1-prop-2-ynoylazetidin-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-(1-prop-2-ynoylpyrrolidin-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-ethoxy-4-[6-(2-prop-2-ynoyl-2-azabicyclo[2.2.1]heptan-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-(1-prop-2-ynoylazetidin-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-(1-prop-2-ynoylpyrrolidin-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is C#CC(=O)N1CC(c2ccc(-c3cc(OCC)cn4ncc(C#N)c34)cn2)C1.C#CC(=O)N1CC2CC1CC2c1ccc(-c2cc(OCC)cn3ncc(C#N)c23)cn1.C#CC(=O)N1CCC(c2ccc(-c3cc(OCC)cn4ncc(C#N)c34)cn2)C1.

What is the InChIKey of 6-ethoxy-4-[6-(2-prop-2-ynoyl-2-azabicyclo[2.2.1]heptan-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-(1-prop-2-ynoylazetidin-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-(1-prop-2-ynoylpyrrolidin-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is GVZOGFGDOAXBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2.C22H19N5O2.C21H17N5O2/c1-3-23(30)28-13-16-7-18(28)8-20(16)22-6-5-15(11-26-22)21-9-19(31-4-2)14-29-24(21)17(10-25)12-27-29;1-3-21(28)26-8-7-16(13-26)20-6-5-15(11-24-20)19-9-18(29-4-2)14-27-22(19)17(10-23)12-25-27;1-3-20(27)25-11-16(12-25)19-6-5-14(9-23-19)18-7-17(28-4-2)13-26-21(18)15(8-22)10-24-26/h1,5-6,9,11-12,14,16,18,20H,4,7-8,13H2,2H3;1,5-6,9,11-12,14,16H,4,7-8,13H2,2H3;1,5-7,9-10,13,16H,4,11-12H2,2H3.

What are the key properties of 6-ethoxy-4-[6-(2-prop-2-ynoyl-2-azabicyclo[2.2.1]heptan-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-(1-prop-2-ynoylazetidin-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-(1-prop-2-ynoylpyrrolidin-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-ethoxy-4-[6-(2-prop-2-ynoyl-2-azabicyclo[2.2.1]heptan-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-(1-prop-2-ynoylazetidin-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-(1-prop-2-ynoylpyrrolidin-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 1168.29 g/mol, XLogP of 7.85, 12 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethoxy-4-[6-(2-prop-2-ynoyl-2-azabicyclo[2.2.1]heptan-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-(1-prop-2-ynoylazetidin-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-(1-prop-2-ynoylpyrrolidin-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 164991061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).