trimethyl-[2-[[4-[1-(oxan-2-yl)-5-[(2S)-2-[2-(2-phenylmethoxyethoxy)ethoxy]propoxy]pyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]methoxy]ethyl]silane

C34H49N5O6Si — CID 165127526

About trimethyl-[2-[[4-[1-(oxan-2-yl)-5-[(2S)-2-[2-(2-phenylmethoxyethoxy)ethoxy]propoxy]pyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[4-[1-(oxan-2-yl)-5-[(2S)-2-[2-(2-phenylmethoxyethoxy)ethoxy]propoxy]pyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]methoxy]ethyl]silane (PubChem CID 165127526) has the molecular formula C34H49N5O6Si and a molecular weight of 651.88 g/mol. Its IUPAC name is trimethyl-[2-[[4-[1-(oxan-2-yl)-5-[(2S)-2-[2-(2-phenylmethoxyethoxy)ethoxy]propoxy]pyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

• Compound Name: trimethyl-[2-[[4-[1-(oxan-2-yl)-5-[(2S)-2-[2-(2-phenylmethoxyethoxy)ethoxy]propoxy]pyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]methoxy]ethyl]silane
• PubChem CID: 165127526
• Molecular Formula: C34H49N5O6Si
• Molecular Weight: 651.88 g/mol
• Exact Mass: 651.35
• IUPAC Name: trimethyl-[2-[[4-[1-(oxan-2-yl)-5-[(2S)-2-[2-(2-phenylmethoxyethoxy)ethoxy]propoxy]pyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]methoxy]ethyl]silane
• SMILES: C[C@@H](COc1cc2c(-c3cnn(COCC[Si](C)(C)C)c3)nn(C3CCCCO3)c2cn1)OCCOCCOCc1ccccc1
• InChI: InChI=1S/C34H49N5O6Si/c1-27(43-17-16-40-14-15-41-25-28-10-6-5-7-11-28)24-45-32-20-30-31(22-35-32)39(33-12-8-9-13-44-33)37-34(30)29-21-36-38(23-29)26-42-18-19-46(2,3)4/h5-7,10-11,20-23,27,33H,8-9,12-19,24-26H2,1-4H3/t27-,33?/m0/s1
• InChIKey: OWINCLIRUKHGHT-GFDSEFBSSA-N
• XLogP: 6.32
• TPSA: 103.91 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 19
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	651.88
LogP ≤ 5	6.32
H-Bond Donors ≤ 5	0
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 trimethyl-[2-[[4-[1-(oxan-2-yl)-5-[(2S)-2-[2-(2-phenylmethoxyethoxy)ethoxy]propoxy]pyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]methoxy]ethyl]silane?

The IUPAC name of trimethyl-[2-[[4-[1-(oxan-2-yl)-5-[(2S)-2-[2-(2-phenylmethoxyethoxy)ethoxy]propoxy]pyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]methoxy]ethyl]silane (CID 165127526) is trimethyl-[2-[[4-[1-(oxan-2-yl)-5-[(2S)-2-[2-(2-phenylmethoxyethoxy)ethoxy]propoxy]pyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]methoxy]ethyl]silane.

What is the SMILES notation for trimethyl-[2-[[4-[1-(oxan-2-yl)-5-[(2S)-2-[2-(2-phenylmethoxyethoxy)ethoxy]propoxy]pyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]methoxy]ethyl]silane?

The canonical SMILES for trimethyl-[2-[[4-[1-(oxan-2-yl)-5-[(2S)-2-[2-(2-phenylmethoxyethoxy)ethoxy]propoxy]pyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]methoxy]ethyl]silane is C[C@@H](COc1cc2c(-c3cnn(COCC[Si](C)(C)C)c3)nn(C3CCCCO3)c2cn1)OCCOCCOCc1ccccc1.

What is the InChIKey of trimethyl-[2-[[4-[1-(oxan-2-yl)-5-[(2S)-2-[2-(2-phenylmethoxyethoxy)ethoxy]propoxy]pyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]methoxy]ethyl]silane?

The InChIKey is OWINCLIRUKHGHT-GFDSEFBSSA-N. The full InChI is InChI=1S/C34H49N5O6Si/c1-27(43-17-16-40-14-15-41-25-28-10-6-5-7-11-28)24-45-32-20-30-31(22-35-32)39(33-12-8-9-13-44-33)37-34(30)29-21-36-38(23-29)26-42-18-19-46(2,3)4/h5-7,10-11,20-23,27,33H,8-9,12-19,24-26H2,1-4H3/t27-,33?/m0/s1.

What are the key properties of trimethyl-[2-[[4-[1-(oxan-2-yl)-5-[(2S)-2-[2-(2-phenylmethoxyethoxy)ethoxy]propoxy]pyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]methoxy]ethyl]silane?

trimethyl-[2-[[4-[1-(oxan-2-yl)-5-[(2S)-2-[2-(2-phenylmethoxyethoxy)ethoxy]propoxy]pyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]methoxy]ethyl]silane has a molecular weight of 651.88 g/mol, XLogP of 6.32, 19 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[2-[[4-[1-(oxan-2-yl)-5-[(2S)-2-[2-(2-phenylmethoxyethoxy)ethoxy]propoxy]pyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 165127526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).