6-(3-amino-2-fluorophenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol

C24H19FN4O2 — CID 146404025

IUPAC6-(3-amino-2-fluorophenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
SMILESNc1cccc(-c2cn3c(O)c(Cc4ccco4)nc3c(Cc3ccccc3)n2)c1F
InChIInChI=1S/C24H19FN4O2/c25-22-17(9-4-10-18(22)26)21-14-29-23(19(27-21)12-15-6-2-1-3-7-15)28-20(24(29)30)13-16-8-5-11-31-16/h1-11,14,30H,12-13,26H2
InChIKeyBCSZHYFOSWCKRY-UHFFFAOYSA-N
MW414.44 g/mol
LogP4.60
Rot. Bonds5

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

6-(3-amino-2-fluorophenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol (PubChem CID 146404025) has the molecular formula C24H19FN4O2 and a molecular weight of 414.44 g/mol. Its IUPAC name is 6-(3-amino-2-fluorophenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol.

Molecular Properties

Compound Name6-(3-amino-2-fluorophenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
PubChem CID146404025
Molecular FormulaC24H19FN4O2
Molecular Weight414.44 g/mol
Exact Mass414.15
IUPAC Name6-(3-amino-2-fluorophenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
SMILESNc1cccc(-c2cn3c(O)c(Cc4ccco4)nc3c(Cc3ccccc3)n2)c1F
InChIInChI=1S/C24H19FN4O2/c25-22-17(9-4-10-18(22)26)21-14-29-23(19(27-21)12-15-6-2-1-3-7-15)28-20(24(29)30)13-16-8-5-11-31-16/h1-11,14,30H,12-13,26H2
InChIKeyBCSZHYFOSWCKRY-UHFFFAOYSA-N
XLogP4.60
TPSA89.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-2-fluorophenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?
The IUPAC name of 6-(3-amino-2-fluorophenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol (CID 146404025) is 6-(3-amino-2-fluorophenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol.
What is the SMILES notation for 6-(3-amino-2-fluorophenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?
The canonical SMILES for 6-(3-amino-2-fluorophenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol is Nc1cccc(-c2cn3c(O)c(Cc4ccco4)nc3c(Cc3ccccc3)n2)c1F.
What is the InChIKey of 6-(3-amino-2-fluorophenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?
The InChIKey is BCSZHYFOSWCKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O2/c25-22-17(9-4-10-18(22)26)21-14-29-23(19(27-21)12-15-6-2-1-3-7-15)28-20(24(29)30)13-16-8-5-11-31-16/h1-11,14,30H,12-13,26H2.
What are the key properties of 6-(3-amino-2-fluorophenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?
6-(3-amino-2-fluorophenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol has a molecular weight of 414.44 g/mol, XLogP of 4.60, 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-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 146404025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).