2-[[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-ethoxyethyl(trimethyl)silane;3-(2-methoxyphenyl)-5-pyridin-2-yloxy-2H-pyrazolo[3,4-b]pyridine

C44H56BrN7O5Si2 — CID 161418261

About 2-[[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-ethoxyethyl(trimethyl)silane;3-(2-methoxyphenyl)-5-pyridin-2-yloxy-2H-pyrazolo[3,4-b]pyridine

2-[[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-ethoxyethyl(trimethyl)silane;3-(2-methoxyphenyl)-5-pyridin-2-yloxy-2H-pyrazolo[3,4-b]pyridine (PubChem CID 161418261) has the molecular formula C44H56BrN7O5Si2 and a molecular weight of 899.05 g/mol. Its IUPAC name is 2-[[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-ethoxyethyl(trimethyl)silane;3-(2-methoxyphenyl)-5-pyridin-2-yloxy-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

• Compound Name: 2-[[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-ethoxyethyl(trimethyl)silane;3-(2-methoxyphenyl)-5-pyridin-2-yloxy-2H-pyrazolo[3,4-b]pyridine
• PubChem CID: 161418261
• Molecular Formula: C44H56BrN7O5Si2
• Molecular Weight: 899.05 g/mol
• Exact Mass: 897.31
• IUPAC Name: 2-[[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-ethoxyethyl(trimethyl)silane;3-(2-methoxyphenyl)-5-pyridin-2-yloxy-2H-pyrazolo[3,4-b]pyridine
• SMILES: CCOCC[Si](C)(C)C.COc1ccccc1-c1[nH]nc2ncc(Oc3ccccn3)cc12.COc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(Br)cc12
• InChI: InChI=1S/C19H24BrN3O2Si.C18H14N4O2.C7H18OSi/c1-24-17-8-6-5-7-15(17)18-16-11-14(20)12-21-19(16)23(22-18)13-25-9-10-26(2,3)4;1-23-15-7-3-2-6-13(15)17-14-10-12(11-20-18(14)22-21-17)24-16-8-4-5-9-19-16;1-5-8-6-7-9(2,3)4/h5-8,11-12H,9-10,13H2,1-4H3;2-11H,1H3,(H,20,21,22);5-7H2,1-4H3
• InChIKey: VWJPPDAOLAZTOR-UHFFFAOYSA-N
• XLogP: 11.36
• TPSA: 131.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 15
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	899.05
LogP ≤ 5	11.36
H-Bond Donors ≤ 5	1
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 2-[[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-ethoxyethyl(trimethyl)silane;3-(2-methoxyphenyl)-5-pyridin-2-yloxy-2H-pyrazolo[3,4-b]pyridine?

The IUPAC name of 2-[[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-ethoxyethyl(trimethyl)silane;3-(2-methoxyphenyl)-5-pyridin-2-yloxy-2H-pyrazolo[3,4-b]pyridine (CID 161418261) is 2-[[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-ethoxyethyl(trimethyl)silane;3-(2-methoxyphenyl)-5-pyridin-2-yloxy-2H-pyrazolo[3,4-b]pyridine.

What is the SMILES notation for 2-[[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-ethoxyethyl(trimethyl)silane;3-(2-methoxyphenyl)-5-pyridin-2-yloxy-2H-pyrazolo[3,4-b]pyridine?

The canonical SMILES for 2-[[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-ethoxyethyl(trimethyl)silane;3-(2-methoxyphenyl)-5-pyridin-2-yloxy-2H-pyrazolo[3,4-b]pyridine is CCOCC[Si](C)(C)C.COc1ccccc1-c1[nH]nc2ncc(Oc3ccccn3)cc12.COc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(Br)cc12.

What is the InChIKey of 2-[[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-ethoxyethyl(trimethyl)silane;3-(2-methoxyphenyl)-5-pyridin-2-yloxy-2H-pyrazolo[3,4-b]pyridine?

The InChIKey is VWJPPDAOLAZTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O2Si.C18H14N4O2.C7H18OSi/c1-24-17-8-6-5-7-15(17)18-16-11-14(20)12-21-19(16)23(22-18)13-25-9-10-26(2,3)4;1-23-15-7-3-2-6-13(15)17-14-10-12(11-20-18(14)22-21-17)24-16-8-4-5-9-19-16;1-5-8-6-7-9(2,3)4/h5-8,11-12H,9-10,13H2,1-4H3;2-11H,1H3,(H,20,21,22);5-7H2,1-4H3.

What are the key properties of 2-[[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-ethoxyethyl(trimethyl)silane;3-(2-methoxyphenyl)-5-pyridin-2-yloxy-2H-pyrazolo[3,4-b]pyridine?

2-[[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-ethoxyethyl(trimethyl)silane;3-(2-methoxyphenyl)-5-pyridin-2-yloxy-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 899.05 g/mol, XLogP of 11.36, 15 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-ethoxyethyl(trimethyl)silane;3-(2-methoxyphenyl)-5-pyridin-2-yloxy-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 161418261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).