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-(3-fluoro-5-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(3-fluorophenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(2-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[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

C169H141ClF6N38O14 — CID 165078379

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-(3-fluoro-5-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(3-fluorophenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(2-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[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#Cc4cc(F)cc(OC)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#Cc4cccc(F)c4)CC3)nc2)c2c(C#N)cnn2c1.CCOc1cc(-c2ccc(N3CCN(C(=O)C#Cc4ccccn4)CC3)nc2)c2c(C#N)cnn2c1.CCOc1cc(-c2ccc(N3CCN(C(=O)C#Cc4ccnc(OC)c4)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C29H23F3N6O2.C29H25FN6O3.C28H22ClFN6O2.C28H23FN6O2.C28H25N7O3.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;1-3-39-25-15-26(29-22(16-31)18-33-36(29)19-25)21-5-6-27(32-17-21)34-8-10-35(11-9-34)28(37)7-4-20-12-23(30)14-24(13-20)38-2;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;1-2-37-24-15-25(28-22(16-30)18-32-35(28)19-24)21-7-8-26(31-17-21)33-10-12-34(13-11-33)27(36)9-6-20-4-3-5-23(29)14-20;1-3-38-23-15-24(28-22(16-29)18-32-35(28)19-23)21-5-6-25(31-17-21)33-10-12-34(13-11-33)27(36)7-4-20-8-9-30-26(14-20)37-2;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;5-6,12-15,17-19H,3,8-11H2,1-2H3;4-5,11-14,16-18H,2,7-10H2,1H3;3-5,7-8,14-15,17-19H,2,10-13H2,1H3;5-6,8-9,14-15,17-19H,3,10-13H2,1-2H3;3-6,8,10,15,17-19H,2,11-14H2,1H3
InChIKeyURZKUHPMUWCXBC-UHFFFAOYSA-N
MW3077.68 g/mol
LogP21.10
Rot. Bonds26

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-(3-fluoro-5-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(3-fluorophenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(2-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[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-(3-fluoro-5-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(3-fluorophenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(2-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[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 165078379) has the molecular formula C169H141ClF6N38O14 and a molecular weight of 3077.68 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-(3-fluoro-5-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(3-fluorophenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(2-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[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-(3-fluoro-5-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(3-fluorophenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(2-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[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 CID165078379
Molecular FormulaC169H141ClF6N38O14
Molecular Weight3077.68 g/mol
Exact Mass3075.11
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-(3-fluoro-5-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(3-fluorophenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(2-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[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#Cc4cc(F)cc(OC)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#Cc4cccc(F)c4)CC3)nc2)c2c(C#N)cnn2c1.CCOc1cc(-c2ccc(N3CCN(C(=O)C#Cc4ccccn4)CC3)nc2)c2c(C#N)cnn2c1.CCOc1cc(-c2ccc(N3CCN(C(=O)C#Cc4ccnc(OC)c4)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C29H23F3N6O2.C29H25FN6O3.C28H22ClFN6O2.C28H23FN6O2.C28H25N7O3.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;1-3-39-25-15-26(29-22(16-31)18-33-36(29)19-25)21-5-6-27(32-17-21)34-8-10-35(11-9-34)28(37)7-4-20-12-23(30)14-24(13-20)38-2;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;1-2-37-24-15-25(28-22(16-30)18-32-35(28)19-24)21-7-8-26(31-17-21)33-10-12-34(13-11-33)27(36)9-6-20-4-3-5-23(29)14-20;1-3-38-23-15-24(28-22(16-29)18-32-35(28)19-23)21-5-6-25(31-17-21)33-10-12-34(13-11-33)27(36)7-4-20-8-9-30-26(14-20)37-2;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;5-6,12-15,17-19H,3,8-11H2,1-2H3;4-5,11-14,16-18H,2,7-10H2,1H3;3-5,7-8,14-15,17-19H,2,10-13H2,1H3;5-6,8-9,14-15,17-19H,3,10-13H2,1-2H3;3-6,8,10,15,17-19H,2,11-14H2,1H3
InChIKeyURZKUHPMUWCXBC-UHFFFAOYSA-N
XLogP21.10
TPSA564.80 Ų
H-Bond Donors
H-Bond Acceptors46
Rotatable Bonds26
Heavy Atoms228
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003077.68
LogP ≤ 521.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1046

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-(3-fluoro-5-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(3-fluorophenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(2-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[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

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Related Compounds

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-(3-fluoro-5-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(3-fluorophenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(2-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[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-(3-fluoro-5-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(3-fluorophenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(2-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[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 165078379) 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-(3-fluoro-5-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(3-fluorophenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(2-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[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-(3-fluoro-5-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(3-fluorophenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(2-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[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-(3-fluoro-5-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(3-fluorophenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(2-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[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#Cc4cc(F)cc(OC)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#Cc4cccc(F)c4)CC3)nc2)c2c(C#N)cnn2c1.CCOc1cc(-c2ccc(N3CCN(C(=O)C#Cc4ccccn4)CC3)nc2)c2c(C#N)cnn2c1.CCOc1cc(-c2ccc(N3CCN(C(=O)C#Cc4ccnc(OC)c4)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-(3-fluoro-5-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(3-fluorophenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(2-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[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 URZKUHPMUWCXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F3N6O2.C29H25FN6O3.C28H22ClFN6O2.C28H23FN6O2.C28H25N7O3.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;1-3-39-25-15-26(29-22(16-31)18-33-36(29)19-25)21-5-6-27(32-17-21)34-8-10-35(11-9-34)28(37)7-4-20-12-23(30)14-24(13-20)38-2;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;1-2-37-24-15-25(28-22(16-30)18-32-35(28)19-24)21-7-8-26(31-17-21)33-10-12-34(13-11-33)27(36)9-6-20-4-3-5-23(29)14-20;1-3-38-23-15-24(28-22(16-29)18-32-35(28)19-23)21-5-6-25(31-17-21)33-10-12-34(13-11-33)27(36)7-4-20-8-9-30-26(14-20)37-2;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;5-6,12-15,17-19H,3,8-11H2,1-2H3;4-5,11-14,16-18H,2,7-10H2,1H3;3-5,7-8,14-15,17-19H,2,10-13H2,1H3;5-6,8-9,14-15,17-19H,3,10-13H2,1-2H3;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-(3-fluoro-5-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(3-fluorophenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(2-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[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-(3-fluoro-5-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(3-fluorophenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(2-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[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 3077.68 g/mol, XLogP of 21.10, 26 rotatable bonds, 0 hydrogen bond donors, and 46 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-(3-fluoro-5-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(3-fluorophenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(2-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[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 165078379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).