2-[3-cyano-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-N,N-dimethylacetamide;6-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(4-methyl-1,3-oxazol-2-yl)methoxy]-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-[(2S)-3,3,3-trifluoro-2-hydroxypropoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile

C97H90F3N27O12 — CID 165075257

About 2-[3-cyano-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-N,N-dimethylacetamide;6-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(4-methyl-1,3-oxazol-2-yl)methoxy]-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-[(2S)-3,3,3-trifluoro-2-hydroxypropoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile

2-[3-cyano-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-N,N-dimethylacetamide;6-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(4-methyl-1,3-oxazol-2-yl)methoxy]-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-[(2S)-3,3,3-trifluoro-2-hydroxypropoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 165075257) has the molecular formula C97H90F3N27O12 and a molecular weight of 1882.96 g/mol. Its IUPAC name is 2-[3-cyano-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-N,N-dimethylacetamide;6-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(4-methyl-1,3-oxazol-2-yl)methoxy]-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-[(2S)-3,3,3-trifluoro-2-hydroxypropoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 2-[3-cyano-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-N,N-dimethylacetamide;6-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(4-methyl-1,3-oxazol-2-yl)methoxy]-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-[(2S)-3,3,3-trifluoro-2-hydroxypropoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 165075257
• Molecular Formula: C97H90F3N27O12
• Molecular Weight: 1882.96 g/mol
• Exact Mass: 1881.72
• IUPAC Name: 2-[3-cyano-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-N,N-dimethylacetamide;6-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(4-methyl-1,3-oxazol-2-yl)methoxy]-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-[(2S)-3,3,3-trifluoro-2-hydroxypropoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: C#CC(=O)N1CCN(c2ccc(-c3cc(OCC(=O)N(C)C)cn4ncc(C#N)c34)cn2)CC1.C#CC(=O)N1CCN(c2ccc(-c3cc(OC[C@@H](O)CN(C)C)cn4ncc(C#N)c34)cn2)CC1.C#CC(=O)N1CCN(c2ccc(-c3cc(OC[C@H](O)C(F)(F)F)cn4ncc(C#N)c34)cn2)CC1.C#CC(=O)N1CCN(c2ccc(-c3cc(OCc4nc(C)co4)cn4ncc(C#N)c34)cn2)CC1
• InChI: InChI=1S/C25H21N7O3.C25H27N7O3.C24H23N7O3.C23H19F3N6O3/c1-3-24(33)31-8-6-30(7-9-31)22-5-4-18(12-27-22)21-10-20(34-16-23-29-17(2)15-35-23)14-32-25(21)19(11-26)13-28-32;1-4-24(34)31-9-7-30(8-10-31)23-6-5-18(13-27-23)22-11-21(35-17-20(33)15-29(2)3)16-32-25(22)19(12-26)14-28-32;1-4-22(32)30-9-7-29(8-10-30)21-6-5-17(13-26-21)20-11-19(34-16-23(33)28(2)3)15-31-24(20)18(12-25)14-27-31;1-2-21(34)31-7-5-30(6-8-31)20-4-3-15(11-28-20)18-9-17(35-14-19(33)23(24,25)26)13-32-22(18)16(10-27)12-29-32/h1,4-5,10,12-15H,6-9,16H2,2H3;1,5-6,11,13-14,16,20,33H,7-10,15,17H2,2-3H3;1,5-6,11,13-15H,7-10,16H2,2-3H3;1,3-4,9,11-13,19,33H,5-8,14H2/t;20-;;19-/m.0.0/s1
• InChIKey: UEYRFKJKVKIUMU-HGLZMPTMSA-N
• XLogP: 6.14
• TPSA: 437.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 34
• Rotatable Bonds: 22
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1882.96
LogP ≤ 5	6.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-cyano-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-N,N-dimethylacetamide;6-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(4-methyl-1,3-oxazol-2-yl)methoxy]-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-[(2S)-3,3,3-trifluoro-2-hydroxypropoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 2-[3-cyano-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-N,N-dimethylacetamide;6-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(4-methyl-1,3-oxazol-2-yl)methoxy]-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-[(2S)-3,3,3-trifluoro-2-hydroxypropoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 165075257) is 2-[3-cyano-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-N,N-dimethylacetamide;6-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(4-methyl-1,3-oxazol-2-yl)methoxy]-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-[(2S)-3,3,3-trifluoro-2-hydroxypropoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 2-[3-cyano-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-N,N-dimethylacetamide;6-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(4-methyl-1,3-oxazol-2-yl)methoxy]-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-[(2S)-3,3,3-trifluoro-2-hydroxypropoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 2-[3-cyano-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-N,N-dimethylacetamide;6-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(4-methyl-1,3-oxazol-2-yl)methoxy]-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-[(2S)-3,3,3-trifluoro-2-hydroxypropoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is C#CC(=O)N1CCN(c2ccc(-c3cc(OCC(=O)N(C)C)cn4ncc(C#N)c34)cn2)CC1.C#CC(=O)N1CCN(c2ccc(-c3cc(OC[C@@H](O)CN(C)C)cn4ncc(C#N)c34)cn2)CC1.C#CC(=O)N1CCN(c2ccc(-c3cc(OC[C@H](O)C(F)(F)F)cn4ncc(C#N)c34)cn2)CC1.C#CC(=O)N1CCN(c2ccc(-c3cc(OCc4nc(C)co4)cn4ncc(C#N)c34)cn2)CC1.

What is the InChIKey of 2-[3-cyano-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-N,N-dimethylacetamide;6-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(4-methyl-1,3-oxazol-2-yl)methoxy]-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-[(2S)-3,3,3-trifluoro-2-hydroxypropoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is UEYRFKJKVKIUMU-HGLZMPTMSA-N. The full InChI is InChI=1S/C25H21N7O3.C25H27N7O3.C24H23N7O3.C23H19F3N6O3/c1-3-24(33)31-8-6-30(7-9-31)22-5-4-18(12-27-22)21-10-20(34-16-23-29-17(2)15-35-23)14-32-25(21)19(11-26)13-28-32;1-4-24(34)31-9-7-30(8-10-31)23-6-5-18(13-27-23)22-11-21(35-17-20(33)15-29(2)3)16-32-25(22)19(12-26)14-28-32;1-4-22(32)30-9-7-29(8-10-30)21-6-5-17(13-26-21)20-11-19(34-16-23(33)28(2)3)15-31-24(20)18(12-25)14-27-31;1-2-21(34)31-7-5-30(6-8-31)20-4-3-15(11-28-20)18-9-17(35-14-19(33)23(24,25)26)13-32-22(18)16(10-27)12-29-32/h1,4-5,10,12-15H,6-9,16H2,2H3;1,5-6,11,13-14,16,20,33H,7-10,15,17H2,2-3H3;1,5-6,11,13-15H,7-10,16H2,2-3H3;1,3-4,9,11-13,19,33H,5-8,14H2/t;20-;;19-/m.0.0/s1.

What are the key properties of 2-[3-cyano-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-N,N-dimethylacetamide;6-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(4-methyl-1,3-oxazol-2-yl)methoxy]-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-[(2S)-3,3,3-trifluoro-2-hydroxypropoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?

2-[3-cyano-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-N,N-dimethylacetamide;6-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(4-methyl-1,3-oxazol-2-yl)methoxy]-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-[(2S)-3,3,3-trifluoro-2-hydroxypropoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 1882.96 g/mol, XLogP of 6.14, 22 rotatable bonds, 2 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-cyano-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-N,N-dimethylacetamide;6-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(4-methyl-1,3-oxazol-2-yl)methoxy]-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-[(2S)-3,3,3-trifluoro-2-hydroxypropoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 165075257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).