4-[3-[4-[1-(2,2-difluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;2,2-dimethyl-4-[3-[4-[1-(oxetan-3-ylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;2,2-dimethyl-4-[3-[4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;4-[3-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide

C99H91F5N20O6 — CID 157234370

About 4-[3-[4-[1-(2,2-difluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;2,2-dimethyl-4-[3-[4-[1-(oxetan-3-ylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;2,2-dimethyl-4-[3-[4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;4-[3-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide

4-[3-[4-[1-(2,2-difluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;2,2-dimethyl-4-[3-[4-[1-(oxetan-3-ylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;2,2-dimethyl-4-[3-[4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;4-[3-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide (PubChem CID 157234370) has the molecular formula C99H91F5N20O6 and a molecular weight of 1751.94 g/mol. Its IUPAC name is 4-[3-[4-[1-(2,2-difluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;2,2-dimethyl-4-[3-[4-[1-(oxetan-3-ylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;2,2-dimethyl-4-[3-[4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;4-[3-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide.

Molecular Properties

• Compound Name: 4-[3-[4-[1-(2,2-difluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;2,2-dimethyl-4-[3-[4-[1-(oxetan-3-ylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;2,2-dimethyl-4-[3-[4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;4-[3-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide
• PubChem CID: 157234370
• Molecular Formula: C99H91F5N20O6
• Molecular Weight: 1751.94 g/mol
• Exact Mass: 1750.74
• IUPAC Name: 4-[3-[4-[1-(2,2-difluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;2,2-dimethyl-4-[3-[4-[1-(oxetan-3-ylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;2,2-dimethyl-4-[3-[4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;4-[3-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide
• SMILES: CC(C)(C#Cc1cccn2ncc(-c3ccc(-c4cnn(CC(F)(F)F)c4)cc3)c12)C(N)=O.CC(C)(C#Cc1cccn2ncc(-c3ccc(-c4cnn(CC(F)F)c4)cc3)c12)C(N)=O.CC(C)(C#Cc1cccn2ncc(-c3ccc(-c4cnn(CC5COC5)c4)cc3)c12)C(N)=O.COCCn1cc(-c2ccc(-c3cnn4cccc(C#CC(C)(C)C(N)=O)c34)cc2)cn1
• InChI: InChI=1S/C26H25N5O2.C25H25N5O2.C24H20F3N5O.C24H21F2N5O/c1-26(2,25(27)32)10-9-21-4-3-11-31-24(21)23(13-29-31)20-7-5-19(6-8-20)22-12-28-30(15-22)14-18-16-33-17-18;1-25(2,24(26)31)11-10-20-5-4-12-30-23(20)22(16-28-30)19-8-6-18(7-9-19)21-15-27-29(17-21)13-14-32-3;1-23(2,22(28)33)10-9-18-4-3-11-32-21(18)20(13-30-32)17-7-5-16(6-8-17)19-12-29-31(14-19)15-24(25,26)27;1-24(2,23(27)32)10-9-18-4-3-11-31-22(18)20(13-29-31)17-7-5-16(6-8-17)19-12-28-30(14-19)15-21(25)26/h3-8,11-13,15,18H,14,16-17H2,1-2H3,(H2,27,32);4-9,12,15-17H,13-14H2,1-3H3,(H2,26,31);3-8,11-14H,15H2,1-2H3,(H2,28,33);3-8,11-14,21H,15H2,1-2H3,(H2,27,32)
• InChIKey: AULRQJBCTDUGNA-UHFFFAOYSA-N
• XLogP: 15.03
• TPSA: 331.30 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 20
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1751.94
LogP ≤ 5	15.03
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[1-(2,2-difluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;2,2-dimethyl-4-[3-[4-[1-(oxetan-3-ylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;2,2-dimethyl-4-[3-[4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;4-[3-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide?

The IUPAC name of 4-[3-[4-[1-(2,2-difluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;2,2-dimethyl-4-[3-[4-[1-(oxetan-3-ylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;2,2-dimethyl-4-[3-[4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;4-[3-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide (CID 157234370) is 4-[3-[4-[1-(2,2-difluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;2,2-dimethyl-4-[3-[4-[1-(oxetan-3-ylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;2,2-dimethyl-4-[3-[4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;4-[3-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide.

What is the SMILES notation for 4-[3-[4-[1-(2,2-difluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;2,2-dimethyl-4-[3-[4-[1-(oxetan-3-ylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;2,2-dimethyl-4-[3-[4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;4-[3-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide?

The canonical SMILES for 4-[3-[4-[1-(2,2-difluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;2,2-dimethyl-4-[3-[4-[1-(oxetan-3-ylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;2,2-dimethyl-4-[3-[4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;4-[3-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide is CC(C)(C#Cc1cccn2ncc(-c3ccc(-c4cnn(CC(F)(F)F)c4)cc3)c12)C(N)=O.CC(C)(C#Cc1cccn2ncc(-c3ccc(-c4cnn(CC(F)F)c4)cc3)c12)C(N)=O.CC(C)(C#Cc1cccn2ncc(-c3ccc(-c4cnn(CC5COC5)c4)cc3)c12)C(N)=O.COCCn1cc(-c2ccc(-c3cnn4cccc(C#CC(C)(C)C(N)=O)c34)cc2)cn1.

What is the InChIKey of 4-[3-[4-[1-(2,2-difluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;2,2-dimethyl-4-[3-[4-[1-(oxetan-3-ylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;2,2-dimethyl-4-[3-[4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;4-[3-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide?

The InChIKey is AULRQJBCTDUGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2.C25H25N5O2.C24H20F3N5O.C24H21F2N5O/c1-26(2,25(27)32)10-9-21-4-3-11-31-24(21)23(13-29-31)20-7-5-19(6-8-20)22-12-28-30(15-22)14-18-16-33-17-18;1-25(2,24(26)31)11-10-20-5-4-12-30-23(20)22(16-28-30)19-8-6-18(7-9-19)21-15-27-29(17-21)13-14-32-3;1-23(2,22(28)33)10-9-18-4-3-11-32-21(18)20(13-30-32)17-7-5-16(6-8-17)19-12-29-31(14-19)15-24(25,26)27;1-24(2,23(27)32)10-9-18-4-3-11-31-22(18)20(13-29-31)17-7-5-16(6-8-17)19-12-28-30(14-19)15-21(25)26/h3-8,11-13,15,18H,14,16-17H2,1-2H3,(H2,27,32);4-9,12,15-17H,13-14H2,1-3H3,(H2,26,31);3-8,11-14H,15H2,1-2H3,(H2,28,33);3-8,11-14,21H,15H2,1-2H3,(H2,27,32).

What are the key properties of 4-[3-[4-[1-(2,2-difluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;2,2-dimethyl-4-[3-[4-[1-(oxetan-3-ylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;2,2-dimethyl-4-[3-[4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;4-[3-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide?

4-[3-[4-[1-(2,2-difluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;2,2-dimethyl-4-[3-[4-[1-(oxetan-3-ylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;2,2-dimethyl-4-[3-[4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;4-[3-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide has a molecular weight of 1751.94 g/mol, XLogP of 15.03, 20 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[4-[1-(2,2-difluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide;2,2-dimethyl-4-[3-[4-[1-(oxetan-3-ylmethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;2,2-dimethyl-4-[3-[4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-ynamide;4-[3-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide is sourced from PubChem (CID 157234370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).