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

C24H18FN3O3 — CID 146404021

IUPAC8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
SMILESOc1cccc(-c2cn3c(O)c(Cc4ccco4)nc3c(Cc3ccccc3)n2)c1F
InChIInChI=1S/C24H18FN3O3/c25-22-17(9-4-10-21(22)29)20-14-28-23(18(26-20)12-15-6-2-1-3-7-15)27-19(24(28)30)13-16-8-5-11-31-16/h1-11,14,29-30H,12-13H2
InChIKeyVCZKXMXKJMWNJL-UHFFFAOYSA-N
MW415.42 g/mol
LogP4.72
Rot. Bonds5

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

8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol (PubChem CID 146404021) has the molecular formula C24H18FN3O3 and a molecular weight of 415.42 g/mol. Its IUPAC name is 8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol.

Molecular Properties

Compound Name8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
PubChem CID146404021
Molecular FormulaC24H18FN3O3
Molecular Weight415.42 g/mol
Exact Mass415.13
IUPAC Name8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
SMILESOc1cccc(-c2cn3c(O)c(Cc4ccco4)nc3c(Cc3ccccc3)n2)c1F
InChIInChI=1S/C24H18FN3O3/c25-22-17(9-4-10-21(22)29)20-14-28-23(18(26-20)12-15-6-2-1-3-7-15)27-19(24(28)30)13-16-8-5-11-31-16/h1-11,14,29-30H,12-13H2
InChIKeyVCZKXMXKJMWNJL-UHFFFAOYSA-N
XLogP4.72
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?
The IUPAC name of 8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol (CID 146404021) is 8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol.
What is the SMILES notation for 8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?
The canonical SMILES for 8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol is Oc1cccc(-c2cn3c(O)c(Cc4ccco4)nc3c(Cc3ccccc3)n2)c1F.
What is the InChIKey of 8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?
The InChIKey is VCZKXMXKJMWNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O3/c25-22-17(9-4-10-21(22)29)20-14-28-23(18(26-20)12-15-6-2-1-3-7-15)27-19(24(28)30)13-16-8-5-11-31-16/h1-11,14,29-30H,12-13H2.
What are the key properties of 8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?
8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol has a molecular weight of 415.42 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-6-(2-fluoro-3-hydroxyphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 146404021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).