4-[6-(4-but-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-(4,4-dimethylpent-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-(4,4,4-trifluorobut-2-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C72H69F3N18O6 — CID 165013970

IUPAC4-[6-(4-but-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-(4,4-dimethylpent-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-(4,4,4-trifluorobut-2-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC#CC(=O)N1CCN(c2ccc(-c3cc(OCC)cn4ncc(C#N)c34)cn2)CC1.CCOc1cc(-c2ccc(N3CCN(C(=O)C#CC(C)(C)C)CC3)nc2)c2c(C#N)cnn2c1.CCOc1cc(-c2ccc(N3CCN(C(=O)C#CC(F)(F)F)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C26H28N6O2.C23H19F3N6O2.C23H22N6O2/c1-5-34-21-14-22(25-20(15-27)17-29-32(25)18-21)19-6-7-23(28-16-19)30-10-12-31(13-11-30)24(33)8-9-26(2,3)4;1-2-34-18-11-19(22-17(12-27)14-29-32(22)15-18)16-3-4-20(28-13-16)30-7-9-31(10-8-30)21(33)5-6-23(24,25)26;1-3-5-22(30)28-10-8-27(9-11-28)21-7-6-17(14-25-21)20-12-19(31-4-2)16-29-23(20)18(13-24)15-26-29/h6-7,14,16-18H,5,10-13H2,1-4H3;3-4,11,13-15H,2,7-10H2,1H3;6-7,12,14-16H,4,8-11H2,1-2H3
InChIKeyKCZHSCOJCJFBNX-UHFFFAOYSA-N
MW1339.46 g/mol
LogP8.58
Rot. Bonds12

About 4-[6-(4-but-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-(4,4-dimethylpent-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-(4,4,4-trifluorobut-2-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-(4-but-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-(4,4-dimethylpent-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-(4,4,4-trifluorobut-2-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 165013970) has the molecular formula C72H69F3N18O6 and a molecular weight of 1339.46 g/mol. Its IUPAC name is 4-[6-(4-but-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-(4,4-dimethylpent-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-(4,4,4-trifluorobut-2-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-(4-but-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-(4,4-dimethylpent-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-(4,4,4-trifluorobut-2-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID165013970
Molecular FormulaC72H69F3N18O6
Molecular Weight1339.46 g/mol
Exact Mass1338.56
IUPAC Name4-[6-(4-but-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-(4,4-dimethylpent-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-(4,4,4-trifluorobut-2-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC#CC(=O)N1CCN(c2ccc(-c3cc(OCC)cn4ncc(C#N)c34)cn2)CC1.CCOc1cc(-c2ccc(N3CCN(C(=O)C#CC(C)(C)C)CC3)nc2)c2c(C#N)cnn2c1.CCOc1cc(-c2ccc(N3CCN(C(=O)C#CC(F)(F)F)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C26H28N6O2.C23H19F3N6O2.C23H22N6O2/c1-5-34-21-14-22(25-20(15-27)17-29-32(25)18-21)19-6-7-23(28-16-19)30-10-12-31(13-11-30)24(33)8-9-26(2,3)4;1-2-34-18-11-19(22-17(12-27)14-29-32(22)15-18)16-3-4-20(28-13-16)30-7-9-31(10-8-30)21(33)5-6-23(24,25)26;1-3-5-22(30)28-10-8-27(9-11-28)21-7-6-17(14-25-21)20-12-19(31-4-2)16-29-23(20)18(13-24)15-26-29/h6-7,14,16-18H,5,10-13H2,1-4H3;3-4,11,13-15H,2,7-10H2,1H3;6-7,12,14-16H,4,8-11H2,1-2H3
InChIKeyKCZHSCOJCJFBNX-UHFFFAOYSA-N
XLogP8.58
TPSA260.28 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds12
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001339.46
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 4-[6-(4-but-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-(4,4-dimethylpent-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-(4,4,4-trifluorobut-2-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

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Related Compounds

Selpercatinib
CID 134436906
tert-Butyl 3-(5-(3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl)pyridin-2-yl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
CID 134435575
US10023570, Example 696
CID 124200223
US10023570, Example 675
CID 126740221
US10023570, Example 674
CID 126740224
US10144734, Example 206
CID 134434568
US10144734, Example 209
CID 134434689
US10144734, Example 348
CID 134434744
US10144734, Example 477
CID 134434793
US10144734, Example 45
CID 134434826
US10144734, Example 616
CID 134434860
US10144734, Example 586
CID 134434872

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-but-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-(4,4-dimethylpent-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-(4,4,4-trifluorobut-2-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-(4-but-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-(4,4-dimethylpent-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-(4,4,4-trifluorobut-2-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 165013970) is 4-[6-(4-but-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-(4,4-dimethylpent-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-(4,4,4-trifluorobut-2-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-(4-but-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-(4,4-dimethylpent-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-(4,4,4-trifluorobut-2-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-(4-but-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-(4,4-dimethylpent-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-(4,4,4-trifluorobut-2-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CC#CC(=O)N1CCN(c2ccc(-c3cc(OCC)cn4ncc(C#N)c34)cn2)CC1.CCOc1cc(-c2ccc(N3CCN(C(=O)C#CC(C)(C)C)CC3)nc2)c2c(C#N)cnn2c1.CCOc1cc(-c2ccc(N3CCN(C(=O)C#CC(F)(F)F)CC3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 4-[6-(4-but-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-(4,4-dimethylpent-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-(4,4,4-trifluorobut-2-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is KCZHSCOJCJFBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2.C23H19F3N6O2.C23H22N6O2/c1-5-34-21-14-22(25-20(15-27)17-29-32(25)18-21)19-6-7-23(28-16-19)30-10-12-31(13-11-30)24(33)8-9-26(2,3)4;1-2-34-18-11-19(22-17(12-27)14-29-32(22)15-18)16-3-4-20(28-13-16)30-7-9-31(10-8-30)21(33)5-6-23(24,25)26;1-3-5-22(30)28-10-8-27(9-11-28)21-7-6-17(14-25-21)20-12-19(31-4-2)16-29-23(20)18(13-24)15-26-29/h6-7,14,16-18H,5,10-13H2,1-4H3;3-4,11,13-15H,2,7-10H2,1H3;6-7,12,14-16H,4,8-11H2,1-2H3.
What are the key properties of 4-[6-(4-but-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-(4,4-dimethylpent-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-(4,4,4-trifluorobut-2-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-(4-but-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-(4,4-dimethylpent-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-(4,4,4-trifluorobut-2-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 1339.46 g/mol, XLogP of 8.58, 12 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-but-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-(4,4-dimethylpent-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-(4,4,4-trifluorobut-2-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 165013970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).