6-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(1-hydroxycyclopropyl)methoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-methoxy-2-methylpropoxy)-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

C119H114F3N31O14 — CID 165039913

About 6-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(1-hydroxycyclopropyl)methoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-methoxy-2-methylpropoxy)-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

6-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(1-hydroxycyclopropyl)methoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-methoxy-2-methylpropoxy)-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 165039913) has the molecular formula C119H114F3N31O14 and a molecular weight of 2259.42 g/mol. Its IUPAC name is 6-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(1-hydroxycyclopropyl)methoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-methoxy-2-methylpropoxy)-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: 6-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(1-hydroxycyclopropyl)methoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-methoxy-2-methylpropoxy)-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: 165039913
• Molecular Formula: C119H114F3N31O14
• Molecular Weight: 2259.42 g/mol
• Exact Mass: 2257.91
• IUPAC Name: 6-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(1-hydroxycyclopropyl)methoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-methoxy-2-methylpropoxy)-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(C)(C)OC)cn4ncc(C#N)c34)cn2)CC1.C#CC(=O)N1CCN(c2ccc(-c3cc(OCC)cn4ncc(C#N)c34)cn2)CC1.C#CC(=O)N1CCN(c2ccc(-c3cc(OCC4(O)CC4)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
• InChI: InChI=1S/C25H27N7O3.C25H26N6O3.C24H22N6O3.C23H19F3N6O3.C22H20N6O2/c1-4-24(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;1-5-23(32)30-10-8-29(9-11-30)22-7-6-18(14-27-22)21-12-20(34-17-25(2,3)33-4)16-31-24(21)19(13-26)15-28-31;1-2-22(31)29-9-7-28(8-10-29)21-4-3-17(13-26-21)20-11-19(33-16-24(32)5-6-24)15-30-23(20)18(12-25)14-27-30;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;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/h1,5-6,11,13-14,16,20,33H,7-10,15,17H2,2-3H3;1,6-7,12,14-16H,8-11,17H2,2-4H3;1,3-4,11,13-15,32H,5-10,16H2;1,3-4,9,11-13,19,33H,5-8,14H2;1,5-6,11,13-15H,4,7-10H2,2H3/t20-;;;19-;/m0..0./s1
• InChIKey: NYLTUBBLRXWEKV-AQQKNHRNSA-N
• XLogP: 8.46
• TPSA: 506.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 40
• Rotatable Bonds: 27
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2259.42
LogP ≤ 5	8.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(1-hydroxycyclopropyl)methoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-methoxy-2-methylpropoxy)-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 6-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(1-hydroxycyclopropyl)methoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-methoxy-2-methylpropoxy)-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 165039913) is 6-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(1-hydroxycyclopropyl)methoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-methoxy-2-methylpropoxy)-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 6-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(1-hydroxycyclopropyl)methoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-methoxy-2-methylpropoxy)-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 6-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(1-hydroxycyclopropyl)methoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-methoxy-2-methylpropoxy)-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(C)(C)OC)cn4ncc(C#N)c34)cn2)CC1.C#CC(=O)N1CCN(c2ccc(-c3cc(OCC)cn4ncc(C#N)c34)cn2)CC1.C#CC(=O)N1CCN(c2ccc(-c3cc(OCC4(O)CC4)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.

What is the InChIKey of 6-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(1-hydroxycyclopropyl)methoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-methoxy-2-methylpropoxy)-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 NYLTUBBLRXWEKV-AQQKNHRNSA-N. The full InChI is InChI=1S/C25H27N7O3.C25H26N6O3.C24H22N6O3.C23H19F3N6O3.C22H20N6O2/c1-4-24(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;1-5-23(32)30-10-8-29(9-11-30)22-7-6-18(14-27-22)21-12-20(34-17-25(2,3)33-4)16-31-24(21)19(13-26)15-28-31;1-2-22(31)29-9-7-28(8-10-29)21-4-3-17(13-26-21)20-11-19(33-16-24(32)5-6-24)15-30-23(20)18(12-25)14-27-30;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;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/h1,5-6,11,13-14,16,20,33H,7-10,15,17H2,2-3H3;1,6-7,12,14-16H,8-11,17H2,2-4H3;1,3-4,11,13-15,32H,5-10,16H2;1,3-4,9,11-13,19,33H,5-8,14H2;1,5-6,11,13-15H,4,7-10H2,2H3/t20-;;;19-;/m0..0./s1.

What are the key properties of 6-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(1-hydroxycyclopropyl)methoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-methoxy-2-methylpropoxy)-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?

6-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(1-hydroxycyclopropyl)methoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-methoxy-2-methylpropoxy)-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 2259.42 g/mol, XLogP of 8.46, 27 rotatable bonds, 3 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(1-hydroxycyclopropyl)methoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-methoxy-2-methylpropoxy)-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 165039913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).