4-[6-[4-[3-(3-chloro-5-fluorophenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-(3-pyridin-2-ylprop-2-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-[3-(trifluoromethyl)phenyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C84H68ClF4N19O6 — CID 165064531

IUPAC4-[6-[4-[3-(3-chloro-5-fluorophenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-(3-pyridin-2-ylprop-2-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-[3-(trifluoromethyl)phenyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1cc(-c2ccc(N3CCN(C(=O)C#Cc4cc(F)cc(Cl)c4)CC3)nc2)c2c(C#N)cnn2c1.CCOc1cc(-c2ccc(N3CCN(C(=O)C#Cc4cccc(C(F)(F)F)c4)CC3)nc2)c2c(C#N)cnn2c1.CCOc1cc(-c2ccc(N3CCN(C(=O)C#Cc4ccccn4)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C29H23F3N6O2.C28H22ClFN6O2.C27H23N7O2/c1-2-40-24-15-25(28-22(16-33)18-35-38(28)19-24)21-7-8-26(34-17-21)36-10-12-37(13-11-36)27(39)9-6-20-4-3-5-23(14-20)29(30,31)32;1-2-38-24-14-25(28-21(15-31)17-33-36(28)18-24)20-4-5-26(32-16-20)34-7-9-35(10-8-34)27(37)6-3-19-11-22(29)13-23(30)12-19;1-2-36-23-15-24(27-21(16-28)18-31-34(27)19-23)20-6-8-25(30-17-20)32-11-13-33(14-12-32)26(35)9-7-22-5-3-4-10-29-22/h3-5,7-8,14-15,17-19H,2,10-13H2,1H3;4-5,11-14,16-18H,2,7-10H2,1H3;3-6,8,10,15,17-19H,2,11-14H2,1H3
InChIKeyRTBPMDOUSJLQJH-UHFFFAOYSA-N
MW1551.04 g/mol
LogP11.31
Rot. Bonds12

About 4-[6-[4-[3-(3-chloro-5-fluorophenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-(3-pyridin-2-ylprop-2-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-[3-(trifluoromethyl)phenyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[4-[3-(3-chloro-5-fluorophenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-(3-pyridin-2-ylprop-2-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-[3-(trifluoromethyl)phenyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 165064531) has the molecular formula C84H68ClF4N19O6 and a molecular weight of 1551.04 g/mol. Its IUPAC name is 4-[6-[4-[3-(3-chloro-5-fluorophenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-(3-pyridin-2-ylprop-2-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-[3-(trifluoromethyl)phenyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[4-[3-(3-chloro-5-fluorophenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-(3-pyridin-2-ylprop-2-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-[3-(trifluoromethyl)phenyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID165064531
Molecular FormulaC84H68ClF4N19O6
Molecular Weight1551.04 g/mol
Exact Mass1549.52
IUPAC Name4-[6-[4-[3-(3-chloro-5-fluorophenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-(3-pyridin-2-ylprop-2-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-[3-(trifluoromethyl)phenyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1cc(-c2ccc(N3CCN(C(=O)C#Cc4cc(F)cc(Cl)c4)CC3)nc2)c2c(C#N)cnn2c1.CCOc1cc(-c2ccc(N3CCN(C(=O)C#Cc4cccc(C(F)(F)F)c4)CC3)nc2)c2c(C#N)cnn2c1.CCOc1cc(-c2ccc(N3CCN(C(=O)C#Cc4ccccn4)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C29H23F3N6O2.C28H22ClFN6O2.C27H23N7O2/c1-2-40-24-15-25(28-22(16-33)18-35-38(28)19-24)21-7-8-26(34-17-21)36-10-12-37(13-11-36)27(39)9-6-20-4-3-5-23(14-20)29(30,31)32;1-2-38-24-14-25(28-21(15-31)17-33-36(28)18-24)20-4-5-26(32-16-20)34-7-9-35(10-8-34)27(37)6-3-19-11-22(29)13-23(30)12-19;1-2-36-23-15-24(27-21(16-28)18-31-34(27)19-23)20-6-8-25(30-17-20)32-11-13-33(14-12-32)26(35)9-7-22-5-3-4-10-29-22/h3-5,7-8,14-15,17-19H,2,10-13H2,1H3;4-5,11-14,16-18H,2,7-10H2,1H3;3-6,8,10,15,17-19H,2,11-14H2,1H3
InChIKeyRTBPMDOUSJLQJH-UHFFFAOYSA-N
XLogP11.31
TPSA273.17 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds12
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001551.04
LogP ≤ 511.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 4-[6-[4-[3-(3-chloro-5-fluorophenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-(3-pyridin-2-ylprop-2-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-[3-(trifluoromethyl)phenyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10144734, Example 432
CID 134435343
US10144734, Example 597
CID 134435483
US10144734, Example 433
CID 134436113
US10112942, Example 351
CID 134436489
US10112942, Example 352
CID 134437011
US10144734, Example 332
CID 134435354
US10112942, Example 226
CID 134435456
US10112942, Example 447
CID 134435839
US10144734, Example 564
CID 134436064
US10144734, Example 621
CID 134436314
US10112942, Example 239
CID 134436376
US10112942, Example 261
CID 134436424

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[3-(3-chloro-5-fluorophenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-(3-pyridin-2-ylprop-2-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-[3-(trifluoromethyl)phenyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-[4-[3-(3-chloro-5-fluorophenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-(3-pyridin-2-ylprop-2-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-[3-(trifluoromethyl)phenyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 165064531) is 4-[6-[4-[3-(3-chloro-5-fluorophenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-(3-pyridin-2-ylprop-2-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-[3-(trifluoromethyl)phenyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-[4-[3-(3-chloro-5-fluorophenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-(3-pyridin-2-ylprop-2-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-[3-(trifluoromethyl)phenyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[4-[3-(3-chloro-5-fluorophenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-(3-pyridin-2-ylprop-2-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-[3-(trifluoromethyl)phenyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CCOc1cc(-c2ccc(N3CCN(C(=O)C#Cc4cc(F)cc(Cl)c4)CC3)nc2)c2c(C#N)cnn2c1.CCOc1cc(-c2ccc(N3CCN(C(=O)C#Cc4cccc(C(F)(F)F)c4)CC3)nc2)c2c(C#N)cnn2c1.CCOc1cc(-c2ccc(N3CCN(C(=O)C#Cc4ccccn4)CC3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 4-[6-[4-[3-(3-chloro-5-fluorophenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-(3-pyridin-2-ylprop-2-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-[3-(trifluoromethyl)phenyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is RTBPMDOUSJLQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F3N6O2.C28H22ClFN6O2.C27H23N7O2/c1-2-40-24-15-25(28-22(16-33)18-35-38(28)19-24)21-7-8-26(34-17-21)36-10-12-37(13-11-36)27(39)9-6-20-4-3-5-23(14-20)29(30,31)32;1-2-38-24-14-25(28-21(15-31)17-33-36(28)18-24)20-4-5-26(32-16-20)34-7-9-35(10-8-34)27(37)6-3-19-11-22(29)13-23(30)12-19;1-2-36-23-15-24(27-21(16-28)18-31-34(27)19-23)20-6-8-25(30-17-20)32-11-13-33(14-12-32)26(35)9-7-22-5-3-4-10-29-22/h3-5,7-8,14-15,17-19H,2,10-13H2,1H3;4-5,11-14,16-18H,2,7-10H2,1H3;3-6,8,10,15,17-19H,2,11-14H2,1H3.
What are the key properties of 4-[6-[4-[3-(3-chloro-5-fluorophenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-(3-pyridin-2-ylprop-2-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-[3-(trifluoromethyl)phenyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[4-[3-(3-chloro-5-fluorophenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-(3-pyridin-2-ylprop-2-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-[3-(trifluoromethyl)phenyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 1551.04 g/mol, XLogP of 11.31, 12 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[3-(3-chloro-5-fluorophenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-(3-pyridin-2-ylprop-2-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-[3-(trifluoromethyl)phenyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 165064531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).