6-[[(2S)-5,5-dimethylmorpholin-2-yl]methoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[[1-(2-methoxyethyl)piperidin-4-yl]methoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[2-(4-oxoimidazolidin-1-yl)ethoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[2-(3-oxopiperazin-1-yl)ethoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C107H112N30O12 — CID 164958252

About 6-[[(2S)-5,5-dimethylmorpholin-2-yl]methoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[[1-(2-methoxyethyl)piperidin-4-yl]methoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[2-(4-oxoimidazolidin-1-yl)ethoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[2-(3-oxopiperazin-1-yl)ethoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-[[(2S)-5,5-dimethylmorpholin-2-yl]methoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[[1-(2-methoxyethyl)piperidin-4-yl]methoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[2-(4-oxoimidazolidin-1-yl)ethoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[2-(3-oxopiperazin-1-yl)ethoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 164958252) has the molecular formula C107H112N30O12 and a molecular weight of 2010.27 g/mol. Its IUPAC name is 6-[[(2S)-5,5-dimethylmorpholin-2-yl]methoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[[1-(2-methoxyethyl)piperidin-4-yl]methoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[2-(4-oxoimidazolidin-1-yl)ethoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[2-(3-oxopiperazin-1-yl)ethoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[[(2S)-5,5-dimethylmorpholin-2-yl]methoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[[1-(2-methoxyethyl)piperidin-4-yl]methoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[2-(4-oxoimidazolidin-1-yl)ethoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[2-(3-oxopiperazin-1-yl)ethoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 164958252
• Molecular Formula: C107H112N30O12
• Molecular Weight: 2010.27 g/mol
• Exact Mass: 2008.91
• IUPAC Name: 6-[[(2S)-5,5-dimethylmorpholin-2-yl]methoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[[1-(2-methoxyethyl)piperidin-4-yl]methoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[2-(4-oxoimidazolidin-1-yl)ethoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[2-(3-oxopiperazin-1-yl)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(OCC4CCN(CCOC)CC4)cn4ncc(C#N)c34)cn2)CC1.C#CC(=O)N1CCN(c2ccc(-c3cc(OCCN4CCNC(=O)C4)cn4ncc(C#N)c34)cn2)CC1.C#CC(=O)N1CCN(c2ccc(-c3cc(OCCN4CNC(=O)C4)cn4ncc(C#N)c34)cn2)CC1.C#CC(=O)N1CCN(c2ccc(-c3cc(OC[C@@H]4CNC(C)(C)CO4)cn4ncc(C#N)c34)cn2)CC1
• InChI: InChI=1S/C29H33N7O3.C27H29N7O3.C26H26N8O3.C25H24N8O3/c1-3-28(37)35-12-10-34(11-13-35)27-5-4-23(18-31-27)26-16-25(20-36-29(26)24(17-30)19-32-36)39-21-22-6-8-33(9-7-22)14-15-38-2;1-4-25(35)33-9-7-32(8-10-33)24-6-5-19(13-29-24)23-11-21(16-34-26(23)20(12-28)14-31-34)36-17-22-15-30-27(2,3)18-37-22;1-2-25(36)33-9-7-32(8-10-33)23-4-3-19(15-29-23)22-13-21(17-34-26(22)20(14-27)16-30-34)37-12-11-31-6-5-28-24(35)18-31;1-2-24(35)32-7-5-31(6-8-32)22-4-3-18(13-27-22)21-11-20(15-33-25(21)19(12-26)14-29-33)36-10-9-30-16-23(34)28-17-30/h1,4-5,16,18-20,22H,6-15,21H2,2H3;1,5-6,11,13-14,16,22,30H,7-10,15,17-18H2,2-3H3;1,3-4,13,15-17H,5-12,18H2,(H,28,35);1,3-4,11,13-15H,5-10,16-17H2,(H,28,34)/t;22-;;/m.0../s1
• InChIKey: BLSUULSQDGASSS-HRRNSCMASA-N
• XLogP: 4.66
• TPSA: 445.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 36
• Rotatable Bonds: 25
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2010.27
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[[(2S)-5,5-dimethylmorpholin-2-yl]methoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[[1-(2-methoxyethyl)piperidin-4-yl]methoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[2-(4-oxoimidazolidin-1-yl)ethoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[2-(3-oxopiperazin-1-yl)ethoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-[[(2S)-5,5-dimethylmorpholin-2-yl]methoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[[1-(2-methoxyethyl)piperidin-4-yl]methoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[2-(4-oxoimidazolidin-1-yl)ethoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[2-(3-oxopiperazin-1-yl)ethoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 164958252) is 6-[[(2S)-5,5-dimethylmorpholin-2-yl]methoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[[1-(2-methoxyethyl)piperidin-4-yl]methoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[2-(4-oxoimidazolidin-1-yl)ethoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[2-(3-oxopiperazin-1-yl)ethoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-[[(2S)-5,5-dimethylmorpholin-2-yl]methoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[[1-(2-methoxyethyl)piperidin-4-yl]methoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[2-(4-oxoimidazolidin-1-yl)ethoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[2-(3-oxopiperazin-1-yl)ethoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-[[(2S)-5,5-dimethylmorpholin-2-yl]methoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[[1-(2-methoxyethyl)piperidin-4-yl]methoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[2-(4-oxoimidazolidin-1-yl)ethoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[2-(3-oxopiperazin-1-yl)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(OCC4CCN(CCOC)CC4)cn4ncc(C#N)c34)cn2)CC1.C#CC(=O)N1CCN(c2ccc(-c3cc(OCCN4CCNC(=O)C4)cn4ncc(C#N)c34)cn2)CC1.C#CC(=O)N1CCN(c2ccc(-c3cc(OCCN4CNC(=O)C4)cn4ncc(C#N)c34)cn2)CC1.C#CC(=O)N1CCN(c2ccc(-c3cc(OC[C@@H]4CNC(C)(C)CO4)cn4ncc(C#N)c34)cn2)CC1.

What is the InChIKey of 6-[[(2S)-5,5-dimethylmorpholin-2-yl]methoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[[1-(2-methoxyethyl)piperidin-4-yl]methoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[2-(4-oxoimidazolidin-1-yl)ethoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[2-(3-oxopiperazin-1-yl)ethoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is BLSUULSQDGASSS-HRRNSCMASA-N. The full InChI is InChI=1S/C29H33N7O3.C27H29N7O3.C26H26N8O3.C25H24N8O3/c1-3-28(37)35-12-10-34(11-13-35)27-5-4-23(18-31-27)26-16-25(20-36-29(26)24(17-30)19-32-36)39-21-22-6-8-33(9-7-22)14-15-38-2;1-4-25(35)33-9-7-32(8-10-33)24-6-5-19(13-29-24)23-11-21(16-34-26(23)20(12-28)14-31-34)36-17-22-15-30-27(2,3)18-37-22;1-2-25(36)33-9-7-32(8-10-33)23-4-3-19(15-29-23)22-13-21(17-34-26(22)20(14-27)16-30-34)37-12-11-31-6-5-28-24(35)18-31;1-2-24(35)32-7-5-31(6-8-32)22-4-3-18(13-27-22)21-11-20(15-33-25(21)19(12-26)14-29-33)36-10-9-30-16-23(34)28-17-30/h1,4-5,16,18-20,22H,6-15,21H2,2H3;1,5-6,11,13-14,16,22,30H,7-10,15,17-18H2,2-3H3;1,3-4,13,15-17H,5-12,18H2,(H,28,35);1,3-4,11,13-15H,5-10,16-17H2,(H,28,34)/t;22-;;/m.0../s1.

What are the key properties of 6-[[(2S)-5,5-dimethylmorpholin-2-yl]methoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[[1-(2-methoxyethyl)piperidin-4-yl]methoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[2-(4-oxoimidazolidin-1-yl)ethoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[2-(3-oxopiperazin-1-yl)ethoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-[[(2S)-5,5-dimethylmorpholin-2-yl]methoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[[1-(2-methoxyethyl)piperidin-4-yl]methoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[2-(4-oxoimidazolidin-1-yl)ethoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[2-(3-oxopiperazin-1-yl)ethoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 2010.27 g/mol, XLogP of 4.66, 25 rotatable bonds, 3 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[(2S)-5,5-dimethylmorpholin-2-yl]methoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[[1-(2-methoxyethyl)piperidin-4-yl]methoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[2-(4-oxoimidazolidin-1-yl)ethoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[2-(3-oxopiperazin-1-yl)ethoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 164958252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).