tert-butyl-dimethyl-[[3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]phenyl]methoxy]silane

C29H37N5OSi — CID 169092397

About tert-butyl-dimethyl-[[3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]phenyl]methoxy]silane

tert-butyl-dimethyl-[[3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]phenyl]methoxy]silane (PubChem CID 169092397) has the molecular formula C29H37N5OSi and a molecular weight of 499.74 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]phenyl]methoxy]silane.

Molecular Properties

• Compound Name: tert-butyl-dimethyl-[[3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]phenyl]methoxy]silane
• PubChem CID: 169092397
• Molecular Formula: C29H37N5OSi
• Molecular Weight: 499.74 g/mol
• Exact Mass: 499.28
• IUPAC Name: tert-butyl-dimethyl-[[3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]phenyl]methoxy]silane
• SMILES: CC(C)(C)[Si](C)(C)OCc1cccc(N2CCC(n3cc(-c4cnc5ccccc5n4)cn3)CC2)c1
• InChI: InChI=1S/C29H37N5OSi/c1-29(2,3)36(4,5)35-21-22-9-8-10-25(17-22)33-15-13-24(14-16-33)34-20-23(18-31-34)28-19-30-26-11-6-7-12-27(26)32-28/h6-12,17-20,24H,13-16,21H2,1-5H3
• InChIKey: HWUFMFLUTRJOJN-UHFFFAOYSA-N
• XLogP: 6.86
• TPSA: 56.07 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.74
LogP ≤ 5	6.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]phenyl]methoxy]silane?

The IUPAC name of tert-butyl-dimethyl-[[3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]phenyl]methoxy]silane (CID 169092397) is tert-butyl-dimethyl-[[3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]phenyl]methoxy]silane.

What is the SMILES notation for tert-butyl-dimethyl-[[3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]phenyl]methoxy]silane?

The canonical SMILES for tert-butyl-dimethyl-[[3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]phenyl]methoxy]silane is CC(C)(C)[Si](C)(C)OCc1cccc(N2CCC(n3cc(-c4cnc5ccccc5n4)cn3)CC2)c1.

What is the InChIKey of tert-butyl-dimethyl-[[3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]phenyl]methoxy]silane?

The InChIKey is HWUFMFLUTRJOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N5OSi/c1-29(2,3)36(4,5)35-21-22-9-8-10-25(17-22)33-15-13-24(14-16-33)34-20-23(18-31-34)28-19-30-26-11-6-7-12-27(26)32-28/h6-12,17-20,24H,13-16,21H2,1-5H3.

What are the key properties of tert-butyl-dimethyl-[[3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]phenyl]methoxy]silane?

tert-butyl-dimethyl-[[3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]phenyl]methoxy]silane has a molecular weight of 499.74 g/mol, XLogP of 6.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-dimethyl-[[3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]phenyl]methoxy]silane is sourced from PubChem (CID 169092397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).