6-[1-[1-(ethoxymethyl)piperidin-4-yl]pyrazol-4-yl]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-methyl-6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[2-(4-prop-2-ynoylpiperazin-1-yl)pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C79H74N26O4 — CID 165096246

About 6-[1-[1-(ethoxymethyl)piperidin-4-yl]pyrazol-4-yl]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-methyl-6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[2-(4-prop-2-ynoylpiperazin-1-yl)pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-[1-[1-(ethoxymethyl)piperidin-4-yl]pyrazol-4-yl]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-methyl-6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[2-(4-prop-2-ynoylpiperazin-1-yl)pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 165096246) has the molecular formula C79H74N26O4 and a molecular weight of 1451.64 g/mol. Its IUPAC name is 6-[1-[1-(ethoxymethyl)piperidin-4-yl]pyrazol-4-yl]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-methyl-6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[2-(4-prop-2-ynoylpiperazin-1-yl)pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[1-[1-(ethoxymethyl)piperidin-4-yl]pyrazol-4-yl]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-methyl-6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[2-(4-prop-2-ynoylpiperazin-1-yl)pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 165096246
• Molecular Formula: C79H74N26O4
• Molecular Weight: 1451.64 g/mol
• Exact Mass: 1450.64
• IUPAC Name: 6-[1-[1-(ethoxymethyl)piperidin-4-yl]pyrazol-4-yl]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-methyl-6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[2-(4-prop-2-ynoylpiperazin-1-yl)pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: C#CC(=O)N1CCN(c2ccc(-c3cc(-c4cnn(C5CCN(COCC)CC5)c4)cn4ncc(C#N)c34)cn2)CC1.C#CC(=O)N1CCN(c2ncc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cc2C)CC1.C#CC(=O)N1CCN(c2ncc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1
• InChI: InChI=1S/C31H33N9O2.C25H22N8O.C23H19N9O/c1-3-30(41)38-13-11-37(12-14-38)29-6-5-23(17-33-29)28-15-24(20-40-31(28)25(16-32)18-35-40)26-19-34-39(21-26)27-7-9-36(10-8-27)22-42-4-2;1-4-23(34)31-5-7-32(8-6-31)25-17(2)9-18(12-27-25)22-10-19(21-14-28-30(3)15-21)16-33-24(22)20(11-26)13-29-33;1-3-21(33)30-4-6-31(7-5-30)23-25-10-18(11-26-23)20-8-16(19-13-27-29(2)14-19)15-32-22(20)17(9-24)12-28-32/h1,5-6,15,17-21,27H,4,7-14,22H2,2H3;1,9-10,12-16H,5-8H2,2-3H3;1,8,10-15H,4-7H2,2H3
• InChIKey: XODDSBHDUDHSMO-UHFFFAOYSA-N
• XLogP: 6.65
• TPSA: 311.41 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 13
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1451.64
LogP ≤ 5	6.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[1-[1-(ethoxymethyl)piperidin-4-yl]pyrazol-4-yl]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-methyl-6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[2-(4-prop-2-ynoylpiperazin-1-yl)pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-[1-[1-(ethoxymethyl)piperidin-4-yl]pyrazol-4-yl]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-methyl-6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[2-(4-prop-2-ynoylpiperazin-1-yl)pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 165096246) is 6-[1-[1-(ethoxymethyl)piperidin-4-yl]pyrazol-4-yl]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-methyl-6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[2-(4-prop-2-ynoylpiperazin-1-yl)pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-[1-[1-(ethoxymethyl)piperidin-4-yl]pyrazol-4-yl]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-methyl-6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[2-(4-prop-2-ynoylpiperazin-1-yl)pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-[1-[1-(ethoxymethyl)piperidin-4-yl]pyrazol-4-yl]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-methyl-6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[2-(4-prop-2-ynoylpiperazin-1-yl)pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is C#CC(=O)N1CCN(c2ccc(-c3cc(-c4cnn(C5CCN(COCC)CC5)c4)cn4ncc(C#N)c34)cn2)CC1.C#CC(=O)N1CCN(c2ncc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cc2C)CC1.C#CC(=O)N1CCN(c2ncc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1.

What is the InChIKey of 6-[1-[1-(ethoxymethyl)piperidin-4-yl]pyrazol-4-yl]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-methyl-6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[2-(4-prop-2-ynoylpiperazin-1-yl)pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is XODDSBHDUDHSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N9O2.C25H22N8O.C23H19N9O/c1-3-30(41)38-13-11-37(12-14-38)29-6-5-23(17-33-29)28-15-24(20-40-31(28)25(16-32)18-35-40)26-19-34-39(21-26)27-7-9-36(10-8-27)22-42-4-2;1-4-23(34)31-5-7-32(8-6-31)25-17(2)9-18(12-27-25)22-10-19(21-14-28-30(3)15-21)16-33-24(22)20(11-26)13-29-33;1-3-21(33)30-4-6-31(7-5-30)23-25-10-18(11-26-23)20-8-16(19-13-27-29(2)14-19)15-32-22(20)17(9-24)12-28-32/h1,5-6,15,17-21,27H,4,7-14,22H2,2H3;1,9-10,12-16H,5-8H2,2-3H3;1,8,10-15H,4-7H2,2H3.

What are the key properties of 6-[1-[1-(ethoxymethyl)piperidin-4-yl]pyrazol-4-yl]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-methyl-6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[2-(4-prop-2-ynoylpiperazin-1-yl)pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-[1-[1-(ethoxymethyl)piperidin-4-yl]pyrazol-4-yl]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-methyl-6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[2-(4-prop-2-ynoylpiperazin-1-yl)pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 1451.64 g/mol, XLogP of 6.65, 13 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-[1-(ethoxymethyl)piperidin-4-yl]pyrazol-4-yl]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-methyl-6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[2-(4-prop-2-ynoylpiperazin-1-yl)pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 165096246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).