trimethyl-[2-[[4-[1-[4-(1H-pyrazol-4-yl)butan-2-yl]pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane

C23H32N6OSi — CID 68910657

About trimethyl-[2-[[4-[1-[4-(1H-pyrazol-4-yl)butan-2-yl]pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[4-[1-[4-(1H-pyrazol-4-yl)butan-2-yl]pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (PubChem CID 68910657) has the molecular formula C23H32N6OSi and a molecular weight of 436.64 g/mol. Its IUPAC name is trimethyl-[2-[[4-[1-[4-(1H-pyrazol-4-yl)butan-2-yl]pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.

Molecular Properties

• Compound Name: trimethyl-[2-[[4-[1-[4-(1H-pyrazol-4-yl)butan-2-yl]pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
• PubChem CID: 68910657
• Molecular Formula: C23H32N6OSi
• Molecular Weight: 436.64 g/mol
• Exact Mass: 436.24
• IUPAC Name: trimethyl-[2-[[4-[1-[4-(1H-pyrazol-4-yl)butan-2-yl]pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
• SMILES: CC(CCc1cn[nH]c1)n1cc(-c2ccnc3c2ccn3COCC[Si](C)(C)C)cn1
• InChI: InChI=1S/C23H32N6OSi/c1-18(5-6-19-13-25-26-14-19)29-16-20(15-27-29)21-7-9-24-23-22(21)8-10-28(23)17-30-11-12-31(2,3)4/h7-10,13-16,18H,5-6,11-12,17H2,1-4H3,(H,25,26)
• InChIKey: DUWHPJCILILCBI-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 73.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.64
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', '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 trimethyl-[2-[[4-[1-[4-(1H-pyrazol-4-yl)butan-2-yl]pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?

The IUPAC name of trimethyl-[2-[[4-[1-[4-(1H-pyrazol-4-yl)butan-2-yl]pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (CID 68910657) is trimethyl-[2-[[4-[1-[4-(1H-pyrazol-4-yl)butan-2-yl]pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.

What is the SMILES notation for trimethyl-[2-[[4-[1-[4-(1H-pyrazol-4-yl)butan-2-yl]pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?

The canonical SMILES for trimethyl-[2-[[4-[1-[4-(1H-pyrazol-4-yl)butan-2-yl]pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is CC(CCc1cn[nH]c1)n1cc(-c2ccnc3c2ccn3COCC[Si](C)(C)C)cn1.

What is the InChIKey of trimethyl-[2-[[4-[1-[4-(1H-pyrazol-4-yl)butan-2-yl]pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?

The InChIKey is DUWHPJCILILCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6OSi/c1-18(5-6-19-13-25-26-14-19)29-16-20(15-27-29)21-7-9-24-23-22(21)8-10-28(23)17-30-11-12-31(2,3)4/h7-10,13-16,18H,5-6,11-12,17H2,1-4H3,(H,25,26).

What are the key properties of trimethyl-[2-[[4-[1-[4-(1H-pyrazol-4-yl)butan-2-yl]pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?

trimethyl-[2-[[4-[1-[4-(1H-pyrazol-4-yl)butan-2-yl]pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane has a molecular weight of 436.64 g/mol, XLogP of 5.13, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[2-[[4-[1-[4-(1H-pyrazol-4-yl)butan-2-yl]pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 68910657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).