2-[[3-(6-chloro-3-pyridinyl)-5-(2,3-dimethylphenyl)-6-methoxypyrazolo[4,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C26H31ClN4O2Si — CID 156674730

About 2-[[3-(6-chloro-3-pyridinyl)-5-(2,3-dimethylphenyl)-6-methoxypyrazolo[4,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

2-[[3-(6-chloro-3-pyridinyl)-5-(2,3-dimethylphenyl)-6-methoxypyrazolo[4,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 156674730) has the molecular formula C26H31ClN4O2Si and a molecular weight of 495.10 g/mol. Its IUPAC name is 2-[[3-(6-chloro-3-pyridinyl)-5-(2,3-dimethylphenyl)-6-methoxypyrazolo[4,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[3-(6-chloro-3-pyridinyl)-5-(2,3-dimethylphenyl)-6-methoxypyrazolo[4,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 156674730
• Molecular Formula: C26H31ClN4O2Si
• Molecular Weight: 495.10 g/mol
• Exact Mass: 494.19
• IUPAC Name: 2-[[3-(6-chloro-3-pyridinyl)-5-(2,3-dimethylphenyl)-6-methoxypyrazolo[4,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: COc1cc2c(nc1-c1cccc(C)c1C)c(-c1ccc(Cl)nc1)nn2COCC[Si](C)(C)C
• InChI: InChI=1S/C26H31ClN4O2Si/c1-17-8-7-9-20(18(17)2)25-22(32-3)14-21-26(29-25)24(19-10-11-23(27)28-15-19)30-31(21)16-33-12-13-34(4,5)6/h7-11,14-15H,12-13,16H2,1-6H3
• InChIKey: NORXIHVLVNAKPI-UHFFFAOYSA-N
• XLogP: 6.75
• TPSA: 62.06 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.10
LogP ≤ 5	6.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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-[[3-(6-chloro-3-pyridinyl)-5-(2,3-dimethylphenyl)-6-methoxypyrazolo[4,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[3-(6-chloro-3-pyridinyl)-5-(2,3-dimethylphenyl)-6-methoxypyrazolo[4,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 156674730) is 2-[[3-(6-chloro-3-pyridinyl)-5-(2,3-dimethylphenyl)-6-methoxypyrazolo[4,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[[3-(6-chloro-3-pyridinyl)-5-(2,3-dimethylphenyl)-6-methoxypyrazolo[4,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[[3-(6-chloro-3-pyridinyl)-5-(2,3-dimethylphenyl)-6-methoxypyrazolo[4,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is COc1cc2c(nc1-c1cccc(C)c1C)c(-c1ccc(Cl)nc1)nn2COCC[Si](C)(C)C.

What is the InChIKey of 2-[[3-(6-chloro-3-pyridinyl)-5-(2,3-dimethylphenyl)-6-methoxypyrazolo[4,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is NORXIHVLVNAKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN4O2Si/c1-17-8-7-9-20(18(17)2)25-22(32-3)14-21-26(29-25)24(19-10-11-23(27)28-15-19)30-31(21)16-33-12-13-34(4,5)6/h7-11,14-15H,12-13,16H2,1-6H3.

What are the key properties of 2-[[3-(6-chloro-3-pyridinyl)-5-(2,3-dimethylphenyl)-6-methoxypyrazolo[4,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

2-[[3-(6-chloro-3-pyridinyl)-5-(2,3-dimethylphenyl)-6-methoxypyrazolo[4,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 495.10 g/mol, XLogP of 6.75, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-(6-chloro-3-pyridinyl)-5-(2,3-dimethylphenyl)-6-methoxypyrazolo[4,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 156674730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).