3-(2-methoxyphenyl)-5-[3-(1H-pyrazol-4-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C47H53BN8O5Si — CID 161385965

About 3-(2-methoxyphenyl)-5-[3-(1H-pyrazol-4-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

3-(2-methoxyphenyl)-5-[3-(1H-pyrazol-4-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 161385965) has the molecular formula C47H53BN8O5Si and a molecular weight of 848.89 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-5-[3-(1H-pyrazol-4-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 3-(2-methoxyphenyl)-5-[3-(1H-pyrazol-4-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 161385965
• Molecular Formula: C47H53BN8O5Si
• Molecular Weight: 848.89 g/mol
• Exact Mass: 848.40
• IUPAC Name: 3-(2-methoxyphenyl)-5-[3-(1H-pyrazol-4-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: COc1ccccc1-c1[nH]nc2ncc(-c3cccc(-c4cn[nH]c4)c3)cc12.COc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(B3OC(C)(C)C(C)(C)O3)cc12
• InChI: InChI=1S/C25H36BN3O4Si.C22H17N5O/c1-24(2)25(3,4)33-26(32-24)18-15-20-22(19-11-9-10-12-21(19)30-5)28-29(23(20)27-16-18)17-31-13-14-34(6,7)8;1-28-20-8-3-2-7-18(20)21-19-10-16(11-23-22(19)27-26-21)14-5-4-6-15(9-14)17-12-24-25-13-17/h9-12,15-16H,13-14,17H2,1-8H3;2-13H,1H3,(H,24,25)(H,23,26,27)
• InChIKey: VSIUHRLWDVYOQS-UHFFFAOYSA-N
• XLogP: 9.41
• TPSA: 147.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	848.89
LogP ≤ 5	9.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

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 3-(2-methoxyphenyl)-5-[3-(1H-pyrazol-4-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 3-(2-methoxyphenyl)-5-[3-(1H-pyrazol-4-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 161385965) is 3-(2-methoxyphenyl)-5-[3-(1H-pyrazol-4-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 3-(2-methoxyphenyl)-5-[3-(1H-pyrazol-4-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 3-(2-methoxyphenyl)-5-[3-(1H-pyrazol-4-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is COc1ccccc1-c1[nH]nc2ncc(-c3cccc(-c4cn[nH]c4)c3)cc12.COc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(B3OC(C)(C)C(C)(C)O3)cc12.

What is the InChIKey of 3-(2-methoxyphenyl)-5-[3-(1H-pyrazol-4-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is VSIUHRLWDVYOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36BN3O4Si.C22H17N5O/c1-24(2)25(3,4)33-26(32-24)18-15-20-22(19-11-9-10-12-21(19)30-5)28-29(23(20)27-16-18)17-31-13-14-34(6,7)8;1-28-20-8-3-2-7-18(20)21-19-10-16(11-23-22(19)27-26-21)14-5-4-6-15(9-14)17-12-24-25-13-17/h9-12,15-16H,13-14,17H2,1-8H3;2-13H,1H3,(H,24,25)(H,23,26,27).

What are the key properties of 3-(2-methoxyphenyl)-5-[3-(1H-pyrazol-4-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

3-(2-methoxyphenyl)-5-[3-(1H-pyrazol-4-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 848.89 g/mol, XLogP of 9.41, 12 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-methoxyphenyl)-5-[3-(1H-pyrazol-4-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 161385965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).