6-(3-amino-2-fluorophenyl)-8-benzyl-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol

C25H18F4N4O2 — CID 146403974

About 6-(3-amino-2-fluorophenyl)-8-benzyl-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol

6-(3-amino-2-fluorophenyl)-8-benzyl-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol (PubChem CID 146403974) has the molecular formula C25H18F4N4O2 and a molecular weight of 482.44 g/mol. Its IUPAC name is 6-(3-amino-2-fluorophenyl)-8-benzyl-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol.

Molecular Properties

• Compound Name: 6-(3-amino-2-fluorophenyl)-8-benzyl-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol
• PubChem CID: 146403974
• Molecular Formula: C25H18F4N4O2
• Molecular Weight: 482.44 g/mol
• Exact Mass: 482.14
• IUPAC Name: 6-(3-amino-2-fluorophenyl)-8-benzyl-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol
• SMILES: Nc1cccc(-c2cn3c(O)c(Cc4ccc(C(F)(F)F)o4)nc3c(Cc3ccccc3)n2)c1F
• InChI: InChI=1S/C25H18F4N4O2/c26-22-16(7-4-8-17(22)30)20-13-33-23(18(31-20)11-14-5-2-1-3-6-14)32-19(24(33)34)12-15-9-10-21(35-15)25(27,28)29/h1-10,13,34H,11-12,30H2
• InChIKey: WVPOJZZRZHVRDV-UHFFFAOYSA-N
• XLogP: 5.62
• TPSA: 89.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.44
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-2-fluorophenyl)-8-benzyl-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol?

The IUPAC name of 6-(3-amino-2-fluorophenyl)-8-benzyl-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol (CID 146403974) is 6-(3-amino-2-fluorophenyl)-8-benzyl-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol.

What is the SMILES notation for 6-(3-amino-2-fluorophenyl)-8-benzyl-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol?

The canonical SMILES for 6-(3-amino-2-fluorophenyl)-8-benzyl-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol is Nc1cccc(-c2cn3c(O)c(Cc4ccc(C(F)(F)F)o4)nc3c(Cc3ccccc3)n2)c1F.

What is the InChIKey of 6-(3-amino-2-fluorophenyl)-8-benzyl-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol?

The InChIKey is WVPOJZZRZHVRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F4N4O2/c26-22-16(7-4-8-17(22)30)20-13-33-23(18(31-20)11-14-5-2-1-3-6-14)32-19(24(33)34)12-15-9-10-21(35-15)25(27,28)29/h1-10,13,34H,11-12,30H2.

What are the key properties of 6-(3-amino-2-fluorophenyl)-8-benzyl-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol?

6-(3-amino-2-fluorophenyl)-8-benzyl-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol has a molecular weight of 482.44 g/mol, XLogP of 5.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-amino-2-fluorophenyl)-8-benzyl-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 146403974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).