tert-butyl-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-yl]oxy-dimethylsilane

C33H55N7O2Si2 — CID 140824954

About tert-butyl-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-yl]oxy-dimethylsilane

tert-butyl-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-yl]oxy-dimethylsilane (PubChem CID 140824954) has the molecular formula C33H55N7O2Si2 and a molecular weight of 638.02 g/mol. Its IUPAC name is tert-butyl-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-yl]oxy-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-yl]oxy-dimethylsilane
• PubChem CID: 140824954
• Molecular Formula: C33H55N7O2Si2
• Molecular Weight: 638.02 g/mol
• Exact Mass: 637.40
• IUPAC Name: tert-butyl-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-yl]oxy-dimethylsilane
• SMILES: CCC(CC)n1cc(-c2nc(-c3cnn(C[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)c3)cn3nccc23)cn1
• InChI: InChI=1S/C33H55N7O2Si2/c1-13-27(14-2)39-22-26(20-36-39)31-30-15-17-34-40(30)24-29(37-31)25-19-35-38(21-25)23-28(42-44(11,12)33(6,7)8)16-18-41-43(9,10)32(3,4)5/h15,17,19-22,24,27-28H,13-14,16,18,23H2,1-12H3/t28-/m0/s1
• InChIKey: NVDKIISFLSMRLH-NDEPHWFRSA-N
• XLogP: 8.62
• TPSA: 84.29 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	638.02
LogP ≤ 5	8.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-yl]oxy-dimethylsilane?

The IUPAC name of tert-butyl-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-yl]oxy-dimethylsilane (CID 140824954) is tert-butyl-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-yl]oxy-dimethylsilane.

What is the SMILES notation for tert-butyl-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-yl]oxy-dimethylsilane?

The canonical SMILES for tert-butyl-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-yl]oxy-dimethylsilane is CCC(CC)n1cc(-c2nc(-c3cnn(C[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)c3)cn3nccc23)cn1.

What is the InChIKey of tert-butyl-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-yl]oxy-dimethylsilane?

The InChIKey is NVDKIISFLSMRLH-NDEPHWFRSA-N. The full InChI is InChI=1S/C33H55N7O2Si2/c1-13-27(14-2)39-22-26(20-36-39)31-30-15-17-34-40(30)24-29(37-31)25-19-35-38(21-25)23-28(42-44(11,12)33(6,7)8)16-18-41-43(9,10)32(3,4)5/h15,17,19-22,24,27-28H,13-14,16,18,23H2,1-12H3/t28-/m0/s1.

What are the key properties of tert-butyl-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-yl]oxy-dimethylsilane?

tert-butyl-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-yl]oxy-dimethylsilane has a molecular weight of 638.02 g/mol, XLogP of 8.62, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 140824954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).