1-[4-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one;bis(1-[4-[5-(6-ethoxy-3-ethylpyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one);1-[4-[5-(6-ethoxy-3-methylpyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one;6-ethoxy-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C₁₁₁H₁₁₃ClN₂₆O₁₀ — CID 165099904

About 1-[4-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one;bis(1-[4-[5-(6-ethoxy-3-ethylpyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one);1-[4-[5-(6-ethoxy-3-methylpyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one;6-ethoxy-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

1-[4-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one;bis(1-[4-[5-(6-ethoxy-3-ethylpyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one);1-[4-[5-(6-ethoxy-3-methylpyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one;6-ethoxy-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 165099904) has the molecular formula C₁₁₁H₁₁₃ClN₂₆O₁₀ and a molecular weight of 2006.75 g/mol. Its IUPAC name is 1-[4-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one;bis(1-[4-[5-(6-ethoxy-3-ethylpyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one);1-[4-[5-(6-ethoxy-3-methylpyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one;6-ethoxy-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 1-[4-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one;bis(1-[4-[5-(6-ethoxy-3-ethylpyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one);1-[4-[5-(6-ethoxy-3-methylpyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one;6-ethoxy-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 165099904
• Molecular Formula: C₁₁₁H₁₁₃ClN₂₆O₁₀
• Molecular Weight: 2006.75 g/mol
• Exact Mass: 2004.88
• IUPAC Name: 1-[4-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one;bis(1-[4-[5-(6-ethoxy-3-ethylpyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one);1-[4-[5-(6-ethoxy-3-methylpyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one;6-ethoxy-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: C#CC(=O)N1CCN(c2ccc(-c3cc(OCC)cn4ncc(C#N)c34)cn2)CC1.C#CC(=O)N1CCN(c2ccc(-c3cc(OCC)cn4ncc(C)c34)cn2)CC1.C#CC(=O)N1CCN(c2ccc(-c3cc(OCC)cn4ncc(CC)c34)cn2)CC1.C#CC(=O)N1CCN(c2ccc(-c3cc(OCC)cn4ncc(CC)c34)cn2)CC1.C#CC(=O)N1CCN(c2ccc(-c3cc(OCC)cn4ncc(Cl)c34)cn2)CC1
• InChI: InChI=1S/2C23H25N5O2.C22H20N6O2.C22H23N5O2.C21H20ClN5O2/c2*1-4-17-15-25-28-16-19(30-6-3)13-20(23(17)28)18-7-8-21(24-14-18)26-9-11-27(12-10-26)22(29)5-2;1-3-21(29)27-9-7-26(8-10-27)20-6-5-16(13-24-20)19-11-18(30-4-2)15-28-22(19)17(12-23)14-25-28;1-4-21(28)26-10-8-25(9-11-26)20-7-6-17(14-23-20)19-12-18(29-5-2)15-27-22(19)16(3)13-24-27;1-3-20(28)26-9-7-25(8-10-26)19-6-5-15(12-23-19)17-11-16(29-4-2)14-27-21(17)18(22)13-24-27/h2*2,7-8,13-16H,4,6,9-12H2,1,3H3;1,5-6,11,13-15H,4,7-10H2,2H3;1,6-7,12-15H,5,8-11H2,2-3H3;1,5-6,11-14H,4,7-10H2,2H3
• InChIKey: YDNMJNYYXNQRJS-UHFFFAOYSA-N
• XLogP: 12.34
• TPSA: 338.64 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 22
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2006.75
LogP ≤ 5	12.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one;bis(1-[4-[5-(6-ethoxy-3-ethylpyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one);1-[4-[5-(6-ethoxy-3-methylpyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one;6-ethoxy-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 1-[4-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one;bis(1-[4-[5-(6-ethoxy-3-ethylpyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one);1-[4-[5-(6-ethoxy-3-methylpyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one;6-ethoxy-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 165099904) is 1-[4-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one;bis(1-[4-[5-(6-ethoxy-3-ethylpyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one);1-[4-[5-(6-ethoxy-3-methylpyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one;6-ethoxy-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 1-[4-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one;bis(1-[4-[5-(6-ethoxy-3-ethylpyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one);1-[4-[5-(6-ethoxy-3-methylpyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one;6-ethoxy-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 1-[4-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one;bis(1-[4-[5-(6-ethoxy-3-ethylpyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one);1-[4-[5-(6-ethoxy-3-methylpyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one;6-ethoxy-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is C#CC(=O)N1CCN(c2ccc(-c3cc(OCC)cn4ncc(C#N)c34)cn2)CC1.C#CC(=O)N1CCN(c2ccc(-c3cc(OCC)cn4ncc(C)c34)cn2)CC1.C#CC(=O)N1CCN(c2ccc(-c3cc(OCC)cn4ncc(CC)c34)cn2)CC1.C#CC(=O)N1CCN(c2ccc(-c3cc(OCC)cn4ncc(CC)c34)cn2)CC1.C#CC(=O)N1CCN(c2ccc(-c3cc(OCC)cn4ncc(Cl)c34)cn2)CC1.

What is the InChIKey of 1-[4-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one;bis(1-[4-[5-(6-ethoxy-3-ethylpyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one);1-[4-[5-(6-ethoxy-3-methylpyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one;6-ethoxy-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is YDNMJNYYXNQRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H25N5O2.C22H20N6O2.C22H23N5O2.C21H20ClN5O2/c2*1-4-17-15-25-28-16-19(30-6-3)13-20(23(17)28)18-7-8-21(24-14-18)26-9-11-27(12-10-26)22(29)5-2;1-3-21(29)27-9-7-26(8-10-27)20-6-5-16(13-24-20)19-11-18(30-4-2)15-28-22(19)17(12-23)14-25-28;1-4-21(28)26-10-8-25(9-11-26)20-7-6-17(14-23-20)19-12-18(29-5-2)15-27-22(19)16(3)13-24-27;1-3-20(28)26-9-7-25(8-10-26)19-6-5-15(12-23-19)17-11-16(29-4-2)14-27-21(17)18(22)13-24-27/h2*2,7-8,13-16H,4,6,9-12H2,1,3H3;1,5-6,11,13-15H,4,7-10H2,2H3;1,6-7,12-15H,5,8-11H2,2-3H3;1,5-6,11-14H,4,7-10H2,2H3.

What are the key properties of 1-[4-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one;bis(1-[4-[5-(6-ethoxy-3-ethylpyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one);1-[4-[5-(6-ethoxy-3-methylpyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one;6-ethoxy-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

1-[4-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one;bis(1-[4-[5-(6-ethoxy-3-ethylpyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one);1-[4-[5-(6-ethoxy-3-methylpyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one;6-ethoxy-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 2006.75 g/mol, XLogP of 12.34, 22 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one;bis(1-[4-[5-(6-ethoxy-3-ethylpyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one);1-[4-[5-(6-ethoxy-3-methylpyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one;6-ethoxy-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 165099904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 165099904 — identifiers, structure, computed properties (public domain)

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