8-benzyl-6-[3-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol

C30H32FN3O3Si — CID 146673720

About 8-benzyl-6-[3-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol

8-benzyl-6-[3-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol (PubChem CID 146673720) has the molecular formula C30H32FN3O3Si and a molecular weight of 529.69 g/mol. Its IUPAC name is 8-benzyl-6-[3-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol.

Molecular Properties

• Compound Name: 8-benzyl-6-[3-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
• PubChem CID: 146673720
• Molecular Formula: C30H32FN3O3Si
• Molecular Weight: 529.69 g/mol
• Exact Mass: 529.22
• IUPAC Name: 8-benzyl-6-[3-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
• SMILES: CC(C)(C)[Si](C)(C)Oc1cccc(-c2cn3c(O)c(Cc4ccco4)nc3c(Cc3ccccc3)n2)c1F
• InChI: InChI=1S/C30H32FN3O3Si/c1-30(2,3)38(4,5)37-26-15-9-14-22(27(26)31)25-19-34-28(23(32-25)17-20-11-7-6-8-12-20)33-24(29(34)35)18-21-13-10-16-36-21/h6-16,19,35H,17-18H2,1-5H3
• InChIKey: ZTGWSLSDAFDDGX-UHFFFAOYSA-N
• XLogP: 7.40
• TPSA: 72.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.69
LogP ≤ 5	7.40
H-Bond Donors ≤ 5	1
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 8-benzyl-6-[3-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?

The IUPAC name of 8-benzyl-6-[3-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol (CID 146673720) is 8-benzyl-6-[3-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol.

What is the SMILES notation for 8-benzyl-6-[3-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?

The canonical SMILES for 8-benzyl-6-[3-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol is CC(C)(C)[Si](C)(C)Oc1cccc(-c2cn3c(O)c(Cc4ccco4)nc3c(Cc3ccccc3)n2)c1F.

What is the InChIKey of 8-benzyl-6-[3-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?

The InChIKey is ZTGWSLSDAFDDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN3O3Si/c1-30(2,3)38(4,5)37-26-15-9-14-22(27(26)31)25-19-34-28(23(32-25)17-20-11-7-6-8-12-20)33-24(29(34)35)18-21-13-10-16-36-21/h6-16,19,35H,17-18H2,1-5H3.

What are the key properties of 8-benzyl-6-[3-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?

8-benzyl-6-[3-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol has a molecular weight of 529.69 g/mol, XLogP of 7.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-benzyl-6-[3-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 146673720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).