N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]quinolin-2-yl]propane-1-sulfonamide;4-[3-[4-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[1-(difluoromethyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-(3-fluoro-4-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynoic acid;4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynoic acid

C121H111F3N26O9S — CID 158988792

About N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]quinolin-2-yl]propane-1-sulfonamide;4-[3-[4-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[1-(difluoromethyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-(3-fluoro-4-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynoic acid;4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynoic acid

N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]quinolin-2-yl]propane-1-sulfonamide;4-[3-[4-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[1-(difluoromethyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-(3-fluoro-4-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynoic acid;4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynoic acid (PubChem CID 158988792) has the molecular formula C121H111F3N26O9S and a molecular weight of 2162.45 g/mol. Its IUPAC name is N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]quinolin-2-yl]propane-1-sulfonamide;4-[3-[4-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[1-(difluoromethyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-(3-fluoro-4-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynoic acid;4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynoic acid.

Molecular Properties

• Compound Name: N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]quinolin-2-yl]propane-1-sulfonamide;4-[3-[4-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[1-(difluoromethyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-(3-fluoro-4-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynoic acid;4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynoic acid
• PubChem CID: 158988792
• Molecular Formula: C121H111F3N26O9S
• Molecular Weight: 2162.45 g/mol
• Exact Mass: 2160.87
• IUPAC Name: N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]quinolin-2-yl]propane-1-sulfonamide;4-[3-[4-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[1-(difluoromethyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-(3-fluoro-4-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynoic acid;4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynoic acid
• SMILES: CC(C)(C#Cc1cccn2ncc(-c3ccc(N4CCOCC4)c(F)c3)c12)C(=O)O.CC(C)(C#Cc1nccn2ncc(-c3ccc4c(cnn4C(F)F)c3)c12)C(N)=O.CC(C)(O)Cn1cc(-c2ccc(-c3cnn4cccc(C#CC(C)(C)C(=O)O)c34)cc2)cn1.CCCS(=O)(=O)Nc1ccc2cc(-c3cnn4ccnc(C5=CCC(C#N)CC5)c34)ccc2n1.N#CC1CC=C(c2nccn3ncc(-c4ccc(-c5cnn(CC6(C#N)CC6)c5)cc4)c23)CC1
• InChI: InChI=1S/C27H23N7.C26H26N4O3.C25H24N6O2S.C23H22FN3O3.C20H16F2N6O/c28-13-19-1-3-22(4-2-19)25-26-24(15-32-34(26)12-11-30-25)21-7-5-20(6-8-21)23-14-31-33(16-23)18-27(17-29)9-10-27;1-25(2,24(31)32)12-11-20-6-5-13-30-23(20)22(15-28-30)19-9-7-18(8-10-19)21-14-27-29(16-21)17-26(3,4)33;1-2-13-34(32,33)30-23-10-8-20-14-19(7-9-22(20)29-23)21-16-28-31-12-11-27-24(25(21)31)18-5-3-17(15-26)4-6-18;1-23(2,22(28)29)8-7-16-4-3-9-27-21(16)18(15-25-27)17-5-6-20(19(24)14-17)26-10-12-30-13-11-26;1-20(2,18(23)29)6-5-15-17-14(11-25-27(17)8-7-24-15)12-3-4-16-13(9-12)10-26-28(16)19(21)22/h3,5-8,11-12,14-16,19H,1-2,4,9-10,18H2;5-10,13-16,33H,17H2,1-4H3,(H,31,32);5,7-12,14,16-17H,2-4,6,13H2,1H3,(H,29,30);3-6,9,14-15H,10-13H2,1-2H3,(H,28,29);3-4,7-11,19H,1-2H3,(H2,23,29)
• InChIKey: JPXDJMBUTWDZPY-UHFFFAOYSA-N
• XLogP: 20.62
• TPSA: 459.45 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 22
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2162.45
LogP ≤ 5	20.62
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]quinolin-2-yl]propane-1-sulfonamide;4-[3-[4-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[1-(difluoromethyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-(3-fluoro-4-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynoic acid;4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynoic acid?

The IUPAC name of N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]quinolin-2-yl]propane-1-sulfonamide;4-[3-[4-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[1-(difluoromethyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-(3-fluoro-4-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynoic acid;4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynoic acid (CID 158988792) is N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]quinolin-2-yl]propane-1-sulfonamide;4-[3-[4-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[1-(difluoromethyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-(3-fluoro-4-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynoic acid;4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynoic acid.

What is the SMILES notation for N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]quinolin-2-yl]propane-1-sulfonamide;4-[3-[4-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[1-(difluoromethyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-(3-fluoro-4-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynoic acid;4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynoic acid?

The canonical SMILES for N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]quinolin-2-yl]propane-1-sulfonamide;4-[3-[4-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[1-(difluoromethyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-(3-fluoro-4-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynoic acid;4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynoic acid is CC(C)(C#Cc1cccn2ncc(-c3ccc(N4CCOCC4)c(F)c3)c12)C(=O)O.CC(C)(C#Cc1nccn2ncc(-c3ccc4c(cnn4C(F)F)c3)c12)C(N)=O.CC(C)(O)Cn1cc(-c2ccc(-c3cnn4cccc(C#CC(C)(C)C(=O)O)c34)cc2)cn1.CCCS(=O)(=O)Nc1ccc2cc(-c3cnn4ccnc(C5=CCC(C#N)CC5)c34)ccc2n1.N#CC1CC=C(c2nccn3ncc(-c4ccc(-c5cnn(CC6(C#N)CC6)c5)cc4)c23)CC1.

What is the InChIKey of N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]quinolin-2-yl]propane-1-sulfonamide;4-[3-[4-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[1-(difluoromethyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-(3-fluoro-4-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynoic acid;4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynoic acid?

The InChIKey is JPXDJMBUTWDZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N7.C26H26N4O3.C25H24N6O2S.C23H22FN3O3.C20H16F2N6O/c28-13-19-1-3-22(4-2-19)25-26-24(15-32-34(26)12-11-30-25)21-7-5-20(6-8-21)23-14-31-33(16-23)18-27(17-29)9-10-27;1-25(2,24(31)32)12-11-20-6-5-13-30-23(20)22(15-28-30)19-9-7-18(8-10-19)21-14-27-29(16-21)17-26(3,4)33;1-2-13-34(32,33)30-23-10-8-20-14-19(7-9-22(20)29-23)21-16-28-31-12-11-27-24(25(21)31)18-5-3-17(15-26)4-6-18;1-23(2,22(28)29)8-7-16-4-3-9-27-21(16)18(15-25-27)17-5-6-20(19(24)14-17)26-10-12-30-13-11-26;1-20(2,18(23)29)6-5-15-17-14(11-25-27(17)8-7-24-15)12-3-4-16-13(9-12)10-26-28(16)19(21)22/h3,5-8,11-12,14-16,19H,1-2,4,9-10,18H2;5-10,13-16,33H,17H2,1-4H3,(H,31,32);5,7-12,14,16-17H,2-4,6,13H2,1H3,(H,29,30);3-6,9,14-15H,10-13H2,1-2H3,(H,28,29);3-4,7-11,19H,1-2H3,(H2,23,29).

What are the key properties of N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]quinolin-2-yl]propane-1-sulfonamide;4-[3-[4-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[1-(difluoromethyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-(3-fluoro-4-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynoic acid;4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynoic acid?

N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]quinolin-2-yl]propane-1-sulfonamide;4-[3-[4-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[1-(difluoromethyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-(3-fluoro-4-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynoic acid;4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynoic acid has a molecular weight of 2162.45 g/mol, XLogP of 20.62, 22 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]quinolin-2-yl]propane-1-sulfonamide;4-[3-[4-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;4-[3-[1-(difluoromethyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-(3-fluoro-4-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynoic acid;4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynoic acid is sourced from PubChem (CID 158988792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).