2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide;2-hydroxy-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide

C54H62N8O7Si — CID 157109963

About 2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide;2-hydroxy-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide

2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide;2-hydroxy-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide (PubChem CID 157109963) has the molecular formula C54H62N8O7Si and a molecular weight of 963.23 g/mol. Its IUPAC name is 2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide;2-hydroxy-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide.

Molecular Properties

• Compound Name: 2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide;2-hydroxy-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide
• PubChem CID: 157109963
• Molecular Formula: C54H62N8O7Si
• Molecular Weight: 963.23 g/mol
• Exact Mass: 962.45
• IUPAC Name: 2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide;2-hydroxy-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide
• SMILES: COc1ccccc1-c1[nH]nc2ncc(-c3cccc(C(C)(O)C(=O)N(C)C)c3)cc12.COc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cccc(C(C)(O)C(=O)N(C)C)c3)cc12
• InChI: InChI=1S/C30H38N4O4Si.C24H24N4O3/c1-30(36,29(35)33(2)3)23-12-10-11-21(17-23)22-18-25-27(24-13-8-9-14-26(24)37-4)32-34(28(25)31-19-22)20-38-15-16-39(5,6)7;1-24(30,23(29)28(2)3)17-9-7-8-15(12-17)16-13-19-21(26-27-22(19)25-14-16)18-10-5-6-11-20(18)31-4/h8-14,17-19,36H,15-16,20H2,1-7H3;5-14,30H,1-4H3,(H,25,26,27)
• InChIKey: AGSROZNTDBLRMK-UHFFFAOYSA-N
• XLogP: 8.98
• TPSA: 181.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 15
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	963.23
LogP ≤ 5	8.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide;2-hydroxy-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide?

The IUPAC name of 2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide;2-hydroxy-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide (CID 157109963) is 2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide;2-hydroxy-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide.

What is the SMILES notation for 2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide;2-hydroxy-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide?

The canonical SMILES for 2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide;2-hydroxy-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide is COc1ccccc1-c1[nH]nc2ncc(-c3cccc(C(C)(O)C(=O)N(C)C)c3)cc12.COc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cccc(C(C)(O)C(=O)N(C)C)c3)cc12.

What is the InChIKey of 2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide;2-hydroxy-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide?

The InChIKey is AGSROZNTDBLRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O4Si.C24H24N4O3/c1-30(36,29(35)33(2)3)23-12-10-11-21(17-23)22-18-25-27(24-13-8-9-14-26(24)37-4)32-34(28(25)31-19-22)20-38-15-16-39(5,6)7;1-24(30,23(29)28(2)3)17-9-7-8-15(12-17)16-13-19-21(26-27-22(19)25-14-16)18-10-5-6-11-20(18)31-4/h8-14,17-19,36H,15-16,20H2,1-7H3;5-14,30H,1-4H3,(H,25,26,27).

What are the key properties of 2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide;2-hydroxy-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide?

2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide;2-hydroxy-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide has a molecular weight of 963.23 g/mol, XLogP of 8.98, 15 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide;2-hydroxy-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide is sourced from PubChem (CID 157109963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).