2-[[3-(2-fluoro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(2-imidazol-1-yl-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C45H53FN14O2Si2 — CID 159357938

About 2-[[3-(2-fluoro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(2-imidazol-1-yl-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane

2-[[3-(2-fluoro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(2-imidazol-1-yl-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 159357938) has the molecular formula C45H53FN14O2Si2 and a molecular weight of 897.19 g/mol. Its IUPAC name is 2-[[3-(2-fluoro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(2-imidazol-1-yl-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[3-(2-fluoro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(2-imidazol-1-yl-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 159357938
• Molecular Formula: C45H53FN14O2Si2
• Molecular Weight: 897.19 g/mol
• Exact Mass: 896.40
• IUPAC Name: 2-[[3-(2-fluoro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(2-imidazol-1-yl-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: Cn1cc(-c2cc3c(-c4ccnc(-n5ccnc5)c4)nn(COCC[Si](C)(C)C)c3cn2)cn1.Cn1cc(-c2cc3c(-c4ccnc(F)c4)nn(COCC[Si](C)(C)C)c3cn2)cn1
• InChI: InChI=1S/C24H28N8OSi.C21H25FN6OSi/c1-30-15-19(13-28-30)21-12-20-22(14-27-21)32(17-33-9-10-34(2,3)4)29-24(20)18-5-6-26-23(11-18)31-8-7-25-16-31;1-27-13-16(11-25-27)18-10-17-19(12-24-18)28(14-29-7-8-30(2,3)4)26-21(17)15-5-6-23-20(22)9-15/h5-8,11-16H,9-10,17H2,1-4H3;5-6,9-13H,7-8,14H2,1-4H3
• InChIKey: LIDVSPUJZHWTDZ-UHFFFAOYSA-N
• XLogP: 8.74
• TPSA: 159.12 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	897.19
LogP ≤ 5	8.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

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-(2-fluoro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(2-imidazol-1-yl-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[3-(2-fluoro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(2-imidazol-1-yl-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 159357938) is 2-[[3-(2-fluoro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(2-imidazol-1-yl-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[[3-(2-fluoro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(2-imidazol-1-yl-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[[3-(2-fluoro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(2-imidazol-1-yl-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane is Cn1cc(-c2cc3c(-c4ccnc(-n5ccnc5)c4)nn(COCC[Si](C)(C)C)c3cn2)cn1.Cn1cc(-c2cc3c(-c4ccnc(F)c4)nn(COCC[Si](C)(C)C)c3cn2)cn1.

What is the InChIKey of 2-[[3-(2-fluoro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(2-imidazol-1-yl-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is LIDVSPUJZHWTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8OSi.C21H25FN6OSi/c1-30-15-19(13-28-30)21-12-20-22(14-27-21)32(17-33-9-10-34(2,3)4)29-24(20)18-5-6-26-23(11-18)31-8-7-25-16-31;1-27-13-16(11-25-27)18-10-17-19(12-24-18)28(14-29-7-8-30(2,3)4)26-21(17)15-5-6-23-20(22)9-15/h5-8,11-16H,9-10,17H2,1-4H3;5-6,9-13H,7-8,14H2,1-4H3.

What are the key properties of 2-[[3-(2-fluoro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(2-imidazol-1-yl-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

2-[[3-(2-fluoro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(2-imidazol-1-yl-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 897.19 g/mol, XLogP of 8.74, 15 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-(2-fluoro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(2-imidazol-1-yl-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 159357938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).