1-[4-[5-[3-bromo-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one;6-(1-methylimidazol-4-yl)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-3-yl)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-methylpyrazol-3-yl)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C119H97BrF3N39O5 — CID 165075233

About 1-[4-[5-[3-bromo-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one;6-(1-methylimidazol-4-yl)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-3-yl)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-methylpyrazol-3-yl)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

1-[4-[5-[3-bromo-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one;6-(1-methylimidazol-4-yl)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-3-yl)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-methylpyrazol-3-yl)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 165075233) has the molecular formula C119H97BrF3N39O5 and a molecular weight of 2290.25 g/mol. Its IUPAC name is 1-[4-[5-[3-bromo-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one;6-(1-methylimidazol-4-yl)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-3-yl)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-methylpyrazol-3-yl)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 1-[4-[5-[3-bromo-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one;6-(1-methylimidazol-4-yl)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-3-yl)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-methylpyrazol-3-yl)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 165075233
• Molecular Formula: C119H97BrF3N39O5
• Molecular Weight: 2290.25 g/mol
• Exact Mass: 2287.77
• IUPAC Name: 1-[4-[5-[3-bromo-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one;6-(1-methylimidazol-4-yl)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-3-yl)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-methylpyrazol-3-yl)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: C#CC(=O)N1CCN(c2ccc(-c3cc(-c4ccn(C)n4)cn4ncc(C#N)c34)cn2)CC1.C#CC(=O)N1CCN(c2ccc(-c3cc(-c4ccnn4C)cn4ncc(C#N)c34)cn2)CC1.C#CC(=O)N1CCN(c2ccc(-c3cc(-c4cn(C)cn4)cn4ncc(C#N)c34)cn2)CC1.C#CC(=O)N1CCN(c2ccc(-c3cc(-c4cnn(C(F)(F)F)c4)cn4ncc(C#N)c34)cn2)CC1.C#CC(=O)N1CCN(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(Br)c34)cn2)CC1
• InChI: InChI=1S/C24H17F3N8O.3C24H20N8O.C23H20BrN7O/c1-2-22(36)33-7-5-32(6-8-33)21-4-3-16(11-29-21)20-9-17(14-34-23(20)18(10-28)12-30-34)19-13-31-35(15-19)24(25,26)27;1-3-23(33)31-8-6-30(7-9-31)22-5-4-17(12-26-22)20-10-18(21-15-29(2)16-27-21)14-32-24(20)19(11-25)13-28-32;1-3-23(33)31-10-8-30(9-11-31)22-5-4-17(14-26-22)20-12-18(21-6-7-29(2)28-21)16-32-24(20)19(13-25)15-27-32;1-3-23(33)31-10-8-30(9-11-31)22-5-4-17(14-26-22)20-12-18(21-6-7-27-29(21)2)16-32-24(20)19(13-25)15-28-32;1-3-22(32)30-8-6-29(7-9-30)21-5-4-16(11-25-21)19-10-17(18-12-26-28(2)14-18)15-31-23(19)20(24)13-27-31/h1,3-4,9,11-15H,5-8H2;1,4-5,10,12-16H,6-9H2,2H3;2*1,4-7,12,14-16H,8-11H2,2H3;1,4-5,10-15H,6-9H2,2H3
• InChIKey: UEVDFSSAQIVTLE-UHFFFAOYSA-N
• XLogP: 11.58
• TPSA: 452.96 Ų
• H-Bond Acceptors: 39
• Rotatable Bonds: 15
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2290.25
LogP ≤ 5	11.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	39

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-bromo-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one;6-(1-methylimidazol-4-yl)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-3-yl)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-methylpyrazol-3-yl)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 1-[4-[5-[3-bromo-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one;6-(1-methylimidazol-4-yl)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-3-yl)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-methylpyrazol-3-yl)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 165075233) is 1-[4-[5-[3-bromo-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one;6-(1-methylimidazol-4-yl)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-3-yl)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-methylpyrazol-3-yl)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 1-[4-[5-[3-bromo-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one;6-(1-methylimidazol-4-yl)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-3-yl)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-methylpyrazol-3-yl)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 1-[4-[5-[3-bromo-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one;6-(1-methylimidazol-4-yl)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-3-yl)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-methylpyrazol-3-yl)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is C#CC(=O)N1CCN(c2ccc(-c3cc(-c4ccn(C)n4)cn4ncc(C#N)c34)cn2)CC1.C#CC(=O)N1CCN(c2ccc(-c3cc(-c4ccnn4C)cn4ncc(C#N)c34)cn2)CC1.C#CC(=O)N1CCN(c2ccc(-c3cc(-c4cn(C)cn4)cn4ncc(C#N)c34)cn2)CC1.C#CC(=O)N1CCN(c2ccc(-c3cc(-c4cnn(C(F)(F)F)c4)cn4ncc(C#N)c34)cn2)CC1.C#CC(=O)N1CCN(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(Br)c34)cn2)CC1.

What is the InChIKey of 1-[4-[5-[3-bromo-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one;6-(1-methylimidazol-4-yl)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-3-yl)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-methylpyrazol-3-yl)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is UEVDFSSAQIVTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N8O.3C24H20N8O.C23H20BrN7O/c1-2-22(36)33-7-5-32(6-8-33)21-4-3-16(11-29-21)20-9-17(14-34-23(20)18(10-28)12-30-34)19-13-31-35(15-19)24(25,26)27;1-3-23(33)31-8-6-30(7-9-31)22-5-4-17(12-26-22)20-10-18(21-15-29(2)16-27-21)14-32-24(20)19(11-25)13-28-32;1-3-23(33)31-10-8-30(9-11-31)22-5-4-17(14-26-22)20-12-18(21-6-7-29(2)28-21)16-32-24(20)19(13-25)15-27-32;1-3-23(33)31-10-8-30(9-11-31)22-5-4-17(14-26-22)20-12-18(21-6-7-27-29(21)2)16-32-24(20)19(13-25)15-28-32;1-3-22(32)30-8-6-29(7-9-30)21-5-4-16(11-25-21)19-10-17(18-12-26-28(2)14-18)15-31-23(19)20(24)13-27-31/h1,3-4,9,11-15H,5-8H2;1,4-5,10,12-16H,6-9H2,2H3;2*1,4-7,12,14-16H,8-11H2,2H3;1,4-5,10-15H,6-9H2,2H3.

What are the key properties of 1-[4-[5-[3-bromo-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one;6-(1-methylimidazol-4-yl)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-3-yl)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-methylpyrazol-3-yl)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

1-[4-[5-[3-bromo-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one;6-(1-methylimidazol-4-yl)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-3-yl)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-methylpyrazol-3-yl)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 2290.25 g/mol, XLogP of 11.58, 15 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[5-[3-bromo-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]prop-2-yn-1-one;6-(1-methylimidazol-4-yl)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-3-yl)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-methylpyrazol-3-yl)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 165075233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).