4-[3-[4-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-[4-[1-(3-cyanopropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;2,2-dimethyl-4-[3-[4-[1-(methylsulfonylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;4-[3-[6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile

C99H96N24O7S — CID 160733298

About 4-[3-[4-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-[4-[1-(3-cyanopropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;2,2-dimethyl-4-[3-[4-[1-(methylsulfonylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;4-[3-[6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile

4-[3-[4-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-[4-[1-(3-cyanopropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;2,2-dimethyl-4-[3-[4-[1-(methylsulfonylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;4-[3-[6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile (PubChem CID 160733298) has the molecular formula C99H96N24O7S and a molecular weight of 1766.08 g/mol. Its IUPAC name is 4-[3-[4-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-[4-[1-(3-cyanopropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;2,2-dimethyl-4-[3-[4-[1-(methylsulfonylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;4-[3-[6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile.

Molecular Properties

• Compound Name: 4-[3-[4-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-[4-[1-(3-cyanopropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;2,2-dimethyl-4-[3-[4-[1-(methylsulfonylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;4-[3-[6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile
• PubChem CID: 160733298
• Molecular Formula: C99H96N24O7S
• Molecular Weight: 1766.08 g/mol
• Exact Mass: 1764.76
• IUPAC Name: 4-[3-[4-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-[4-[1-(3-cyanopropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;2,2-dimethyl-4-[3-[4-[1-(methylsulfonylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;4-[3-[6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile
• SMILES: CC(C)(C#Cc1cccn2ncc(-c3ccc(-c4cnn(CC(N)=O)c4)cc3)c12)C(N)=O.CC(C)(C#Cc1cccn2ncc(-c3ccc(-c4cnn(CCCC#N)c4)cc3)c12)C(N)=O.CC(C)(C#Cc1cccn2ncc(-c3ccc(-c4cnn(CS(C)(=O)=O)c4)cc3)c12)C(N)=O.CC(C)(O)Cn1cc(-c2ccc(-c3cnn4ccnc(C5CCC(C#N)CC5)c34)cn2)cn1
• InChI: InChI=1S/C26H24N6O.C25H27N7O.C24H22N6O2.C24H23N5O3S/c1-26(2,25(28)33)12-11-21-6-5-15-32-24(21)23(17-30-32)20-9-7-19(8-10-20)22-16-29-31(18-22)14-4-3-13-27;1-25(2,33)16-31-15-20(13-29-31)22-8-7-19(12-28-22)21-14-30-32-10-9-27-23(24(21)32)18-5-3-17(11-26)4-6-18;1-24(2,23(26)32)10-9-18-4-3-11-30-22(18)20(13-28-30)17-7-5-16(6-8-17)19-12-27-29(14-19)15-21(25)31;1-24(2,23(25)30)11-10-19-5-4-12-29-22(19)21(14-27-29)18-8-6-17(7-9-18)20-13-26-28(15-20)16-33(3,31)32/h5-10,15-18H,3-4,14H2,1-2H3,(H2,28,33);7-10,12-15,17-18,33H,3-6,16H2,1-2H3;3-8,11-14H,15H2,1-2H3,(H2,25,31)(H2,26,32);4-9,12-15H,16H2,1-3H3,(H2,25,30)
• InChIKey: RUPWRYSDUBTTLR-UHFFFAOYSA-N
• XLogP: 13.20
• TPSA: 440.57 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 21
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1766.08
LogP ≤ 5	13.20
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-[4-[1-(3-cyanopropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;2,2-dimethyl-4-[3-[4-[1-(methylsulfonylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;4-[3-[6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile?

The IUPAC name of 4-[3-[4-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-[4-[1-(3-cyanopropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;2,2-dimethyl-4-[3-[4-[1-(methylsulfonylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;4-[3-[6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile (CID 160733298) is 4-[3-[4-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-[4-[1-(3-cyanopropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;2,2-dimethyl-4-[3-[4-[1-(methylsulfonylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;4-[3-[6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile.

What is the SMILES notation for 4-[3-[4-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-[4-[1-(3-cyanopropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;2,2-dimethyl-4-[3-[4-[1-(methylsulfonylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;4-[3-[6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile?

The canonical SMILES for 4-[3-[4-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-[4-[1-(3-cyanopropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;2,2-dimethyl-4-[3-[4-[1-(methylsulfonylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;4-[3-[6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile is CC(C)(C#Cc1cccn2ncc(-c3ccc(-c4cnn(CC(N)=O)c4)cc3)c12)C(N)=O.CC(C)(C#Cc1cccn2ncc(-c3ccc(-c4cnn(CCCC#N)c4)cc3)c12)C(N)=O.CC(C)(C#Cc1cccn2ncc(-c3ccc(-c4cnn(CS(C)(=O)=O)c4)cc3)c12)C(N)=O.CC(C)(O)Cn1cc(-c2ccc(-c3cnn4ccnc(C5CCC(C#N)CC5)c34)cn2)cn1.

What is the InChIKey of 4-[3-[4-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-[4-[1-(3-cyanopropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;2,2-dimethyl-4-[3-[4-[1-(methylsulfonylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;4-[3-[6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile?

The InChIKey is RUPWRYSDUBTTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O.C25H27N7O.C24H22N6O2.C24H23N5O3S/c1-26(2,25(28)33)12-11-21-6-5-15-32-24(21)23(17-30-32)20-9-7-19(8-10-20)22-16-29-31(18-22)14-4-3-13-27;1-25(2,33)16-31-15-20(13-29-31)22-8-7-19(12-28-22)21-14-30-32-10-9-27-23(24(21)32)18-5-3-17(11-26)4-6-18;1-24(2,23(26)32)10-9-18-4-3-11-30-22(18)20(13-28-30)17-7-5-16(6-8-17)19-12-27-29(14-19)15-21(25)31;1-24(2,23(25)30)11-10-19-5-4-12-29-22(19)21(14-27-29)18-8-6-17(7-9-18)20-13-26-28(15-20)16-33(3,31)32/h5-10,15-18H,3-4,14H2,1-2H3,(H2,28,33);7-10,12-15,17-18,33H,3-6,16H2,1-2H3;3-8,11-14H,15H2,1-2H3,(H2,25,31)(H2,26,32);4-9,12-15H,16H2,1-3H3,(H2,25,30).

What are the key properties of 4-[3-[4-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-[4-[1-(3-cyanopropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;2,2-dimethyl-4-[3-[4-[1-(methylsulfonylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;4-[3-[6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile?

4-[3-[4-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-[4-[1-(3-cyanopropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;2,2-dimethyl-4-[3-[4-[1-(methylsulfonylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;4-[3-[6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile has a molecular weight of 1766.08 g/mol, XLogP of 13.20, 21 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[4-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;4-[3-[4-[1-(3-cyanopropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;2,2-dimethyl-4-[3-[4-[1-(methylsulfonylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;4-[3-[6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 160733298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).