N-[5-(4-fluorophenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide

C25H20FN3O3 — CID 123858984

IUPACN-[5-(4-fluorophenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccc(O)cc1)Nc1ncc(-c2ccc(F)cc2)nc1C(O)c1ccccc1
InChIInChI=1S/C25H20FN3O3/c26-19-10-8-17(9-11-19)21-15-27-25(23(28-21)24(32)18-4-2-1-3-5-18)29-22(31)14-16-6-12-20(30)13-7-16/h1-13,15,24,30,32H,14H2,(H,27,29,31)
InChIKeyXERJDXWYLBRJKS-UHFFFAOYSA-N
MW429.45 g/mol
LogP4.25
Rot. Bonds6

About N-[5-(4-fluorophenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide

N-[5-(4-fluorophenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide (PubChem CID 123858984) has the molecular formula C25H20FN3O3 and a molecular weight of 429.45 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide
PubChem CID123858984
Molecular FormulaC25H20FN3O3
Molecular Weight429.45 g/mol
Exact Mass429.15
IUPAC NameN-[5-(4-fluorophenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccc(O)cc1)Nc1ncc(-c2ccc(F)cc2)nc1C(O)c1ccccc1
InChIInChI=1S/C25H20FN3O3/c26-19-10-8-17(9-11-19)21-15-27-25(23(28-21)24(32)18-4-2-1-3-5-18)29-22(31)14-16-6-12-20(30)13-7-16/h1-13,15,24,30,32H,14H2,(H,27,29,31)
InChIKeyXERJDXWYLBRJKS-UHFFFAOYSA-N
XLogP4.25
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide?
The IUPAC name of N-[5-(4-fluorophenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide (CID 123858984) is N-[5-(4-fluorophenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide is O=C(Cc1ccc(O)cc1)Nc1ncc(-c2ccc(F)cc2)nc1C(O)c1ccccc1.
What is the InChIKey of N-[5-(4-fluorophenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide?
The InChIKey is XERJDXWYLBRJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O3/c26-19-10-8-17(9-11-19)21-15-27-25(23(28-21)24(32)18-4-2-1-3-5-18)29-22(31)14-16-6-12-20(30)13-7-16/h1-13,15,24,30,32H,14H2,(H,27,29,31).
What are the key properties of N-[5-(4-fluorophenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide?
N-[5-(4-fluorophenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide has a molecular weight of 429.45 g/mol, XLogP of 4.25, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 123858984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).