2,2-dimethyl-4-[3-[6-(propylsulfonylamino)naphthalen-2-yl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;4-[3-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;bis(4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile);4-[3-[1-(2,2,2-trifluoroethyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile

C124H125F3N28O6S — CID 159579700

About 2,2-dimethyl-4-[3-[6-(propylsulfonylamino)naphthalen-2-yl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;4-[3-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;bis(4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile);4-[3-[1-(2,2,2-trifluoroethyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile

2,2-dimethyl-4-[3-[6-(propylsulfonylamino)naphthalen-2-yl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;4-[3-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;bis(4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile);4-[3-[1-(2,2,2-trifluoroethyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile (PubChem CID 159579700) has the molecular formula C124H125F3N28O6S and a molecular weight of 2192.61 g/mol. Its IUPAC name is 2,2-dimethyl-4-[3-[6-(propylsulfonylamino)naphthalen-2-yl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;4-[3-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;bis(4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile);4-[3-[1-(2,2,2-trifluoroethyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile.

Molecular Properties

• Compound Name: 2,2-dimethyl-4-[3-[6-(propylsulfonylamino)naphthalen-2-yl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;4-[3-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;bis(4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile);4-[3-[1-(2,2,2-trifluoroethyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile
• PubChem CID: 159579700
• Molecular Formula: C124H125F3N28O6S
• Molecular Weight: 2192.61 g/mol
• Exact Mass: 2191.00
• IUPAC Name: 2,2-dimethyl-4-[3-[6-(propylsulfonylamino)naphthalen-2-yl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;4-[3-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;bis(4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile);4-[3-[1-(2,2,2-trifluoroethyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile
• SMILES: CC(C)(O)Cn1cc(-c2ccc(-c3cnn4ccnc(C5CCC(C#N)CC5)c34)cc2)cn1.CC(C)(O)Cn1cc(-c2ccc(-c3cnn4ccnc(C5CCC(C#N)CC5)c34)cc2)cn1.CC(C)(O)Cn1ncc2cc(-c3cnn4ccnc(C5CCC(C#N)CC5)c34)ccc21.CCCS(=O)(=O)Nc1ccc2cc(-c3cnn4cccc(C#CC(C)(C)C(N)=O)c34)ccc2c1.N#CC1CC=C(c2nccn3ncc(-c4ccc5c(cnn5CC(F)(F)F)c4)c23)CC1
• InChI: InChI=1S/2C26H28N6O.C26H26N4O3S.C24H26N6O.C22H17F3N6/c2*1-26(2,33)17-31-16-22(14-29-31)19-7-9-20(10-8-19)23-15-30-32-12-11-28-24(25(23)32)21-5-3-18(13-27)4-6-21;1-4-14-34(32,33)29-22-10-9-19-15-21(8-7-20(19)16-22)23-17-28-30-13-5-6-18(24(23)30)11-12-26(2,3)25(27)31;1-24(2,31)15-30-21-8-7-18(11-19(21)13-27-30)20-14-28-29-10-9-26-22(23(20)29)17-5-3-16(12-25)4-6-17;23-22(24,25)13-31-19-6-5-16(9-17(19)11-28-31)18-12-29-30-8-7-27-20(21(18)30)15-3-1-14(10-26)2-4-15/h2*7-12,14-16,18,21,33H,3-6,17H2,1-2H3;5-10,13,15-17,29H,4,14H2,1-3H3,(H2,27,31);7-11,13-14,16-17,31H,3-6,15H2,1-2H3;3,5-9,11-12,14H,1-2,4,13H2
• InChIKey: MIVXDFIDLDVTEM-UHFFFAOYSA-N
• XLogP: 23.16
• TPSA: 454.45 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 23
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2192.61
LogP ≤ 5	23.16
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[3-[6-(propylsulfonylamino)naphthalen-2-yl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;4-[3-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;bis(4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile);4-[3-[1-(2,2,2-trifluoroethyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile?

The IUPAC name of 2,2-dimethyl-4-[3-[6-(propylsulfonylamino)naphthalen-2-yl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;4-[3-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;bis(4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile);4-[3-[1-(2,2,2-trifluoroethyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile (CID 159579700) is 2,2-dimethyl-4-[3-[6-(propylsulfonylamino)naphthalen-2-yl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;4-[3-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;bis(4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile);4-[3-[1-(2,2,2-trifluoroethyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile.

What is the SMILES notation for 2,2-dimethyl-4-[3-[6-(propylsulfonylamino)naphthalen-2-yl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;4-[3-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;bis(4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile);4-[3-[1-(2,2,2-trifluoroethyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile?

The canonical SMILES for 2,2-dimethyl-4-[3-[6-(propylsulfonylamino)naphthalen-2-yl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;4-[3-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;bis(4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile);4-[3-[1-(2,2,2-trifluoroethyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile is CC(C)(O)Cn1cc(-c2ccc(-c3cnn4ccnc(C5CCC(C#N)CC5)c34)cc2)cn1.CC(C)(O)Cn1cc(-c2ccc(-c3cnn4ccnc(C5CCC(C#N)CC5)c34)cc2)cn1.CC(C)(O)Cn1ncc2cc(-c3cnn4ccnc(C5CCC(C#N)CC5)c34)ccc21.CCCS(=O)(=O)Nc1ccc2cc(-c3cnn4cccc(C#CC(C)(C)C(N)=O)c34)ccc2c1.N#CC1CC=C(c2nccn3ncc(-c4ccc5c(cnn5CC(F)(F)F)c4)c23)CC1.

What is the InChIKey of 2,2-dimethyl-4-[3-[6-(propylsulfonylamino)naphthalen-2-yl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;4-[3-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;bis(4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile);4-[3-[1-(2,2,2-trifluoroethyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile?

The InChIKey is MIVXDFIDLDVTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H28N6O.C26H26N4O3S.C24H26N6O.C22H17F3N6/c2*1-26(2,33)17-31-16-22(14-29-31)19-7-9-20(10-8-19)23-15-30-32-12-11-28-24(25(23)32)21-5-3-18(13-27)4-6-21;1-4-14-34(32,33)29-22-10-9-19-15-21(8-7-20(19)16-22)23-17-28-30-13-5-6-18(24(23)30)11-12-26(2,3)25(27)31;1-24(2,31)15-30-21-8-7-18(11-19(21)13-27-30)20-14-28-29-10-9-26-22(23(20)29)17-5-3-16(12-25)4-6-17;23-22(24,25)13-31-19-6-5-16(9-17(19)11-28-31)18-12-29-30-8-7-27-20(21(18)30)15-3-1-14(10-26)2-4-15/h2*7-12,14-16,18,21,33H,3-6,17H2,1-2H3;5-10,13,15-17,29H,4,14H2,1-3H3,(H2,27,31);7-11,13-14,16-17,31H,3-6,15H2,1-2H3;3,5-9,11-12,14H,1-2,4,13H2.

What are the key properties of 2,2-dimethyl-4-[3-[6-(propylsulfonylamino)naphthalen-2-yl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;4-[3-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;bis(4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile);4-[3-[1-(2,2,2-trifluoroethyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile?

2,2-dimethyl-4-[3-[6-(propylsulfonylamino)naphthalen-2-yl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;4-[3-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;bis(4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile);4-[3-[1-(2,2,2-trifluoroethyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile has a molecular weight of 2192.61 g/mol, XLogP of 23.16, 23 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-4-[3-[6-(propylsulfonylamino)naphthalen-2-yl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;4-[3-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;bis(4-[3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile);4-[3-[1-(2,2,2-trifluoroethyl)indazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile is sourced from PubChem (CID 159579700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).