2-fluoro-6-[6-methyl-5-(5-methylthiophen-2-yl)-3-(2-phenylethyl)pyrazin-2-yl]phenol

C24H21FN2OS — CID 135903265

IUPAC2-fluoro-6-[6-methyl-5-(5-methylthiophen-2-yl)-3-(2-phenylethyl)pyrazin-2-yl]phenol
SMILESCc1ccc(-c2nc(CCc3ccccc3)c(-c3cccc(F)c3O)nc2C)s1
InChIInChI=1S/C24H21FN2OS/c1-15-11-14-21(29-15)22-16(2)26-23(18-9-6-10-19(25)24(18)28)20(27-22)13-12-17-7-4-3-5-8-17/h3-11,14,28H,12-13H2,1-2H3
InChIKeyYCTSZTFLLOJXER-UHFFFAOYSA-N
MW404.51 g/mol
LogP6.12
Rot. Bonds5

About 2-fluoro-6-[6-methyl-5-(5-methylthiophen-2-yl)-3-(2-phenylethyl)pyrazin-2-yl]phenol

2-fluoro-6-[6-methyl-5-(5-methylthiophen-2-yl)-3-(2-phenylethyl)pyrazin-2-yl]phenol (PubChem CID 135903265) has the molecular formula C24H21FN2OS and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-fluoro-6-[6-methyl-5-(5-methylthiophen-2-yl)-3-(2-phenylethyl)pyrazin-2-yl]phenol.

Molecular Properties

Compound Name2-fluoro-6-[6-methyl-5-(5-methylthiophen-2-yl)-3-(2-phenylethyl)pyrazin-2-yl]phenol
PubChem CID135903265
Molecular FormulaC24H21FN2OS
Molecular Weight404.51 g/mol
Exact Mass404.14
IUPAC Name2-fluoro-6-[6-methyl-5-(5-methylthiophen-2-yl)-3-(2-phenylethyl)pyrazin-2-yl]phenol
SMILESCc1ccc(-c2nc(CCc3ccccc3)c(-c3cccc(F)c3O)nc2C)s1
InChIInChI=1S/C24H21FN2OS/c1-15-11-14-21(29-15)22-16(2)26-23(18-9-6-10-19(25)24(18)28)20(27-22)13-12-17-7-4-3-5-8-17/h3-11,14,28H,12-13H2,1-2H3
InChIKeyYCTSZTFLLOJXER-UHFFFAOYSA-N
XLogP6.12
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[6-methyl-5-(5-methylthiophen-2-yl)-3-(2-phenylethyl)pyrazin-2-yl]phenol?
The IUPAC name of 2-fluoro-6-[6-methyl-5-(5-methylthiophen-2-yl)-3-(2-phenylethyl)pyrazin-2-yl]phenol (CID 135903265) is 2-fluoro-6-[6-methyl-5-(5-methylthiophen-2-yl)-3-(2-phenylethyl)pyrazin-2-yl]phenol.
What is the SMILES notation for 2-fluoro-6-[6-methyl-5-(5-methylthiophen-2-yl)-3-(2-phenylethyl)pyrazin-2-yl]phenol?
The canonical SMILES for 2-fluoro-6-[6-methyl-5-(5-methylthiophen-2-yl)-3-(2-phenylethyl)pyrazin-2-yl]phenol is Cc1ccc(-c2nc(CCc3ccccc3)c(-c3cccc(F)c3O)nc2C)s1.
What is the InChIKey of 2-fluoro-6-[6-methyl-5-(5-methylthiophen-2-yl)-3-(2-phenylethyl)pyrazin-2-yl]phenol?
The InChIKey is YCTSZTFLLOJXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2OS/c1-15-11-14-21(29-15)22-16(2)26-23(18-9-6-10-19(25)24(18)28)20(27-22)13-12-17-7-4-3-5-8-17/h3-11,14,28H,12-13H2,1-2H3.
What are the key properties of 2-fluoro-6-[6-methyl-5-(5-methylthiophen-2-yl)-3-(2-phenylethyl)pyrazin-2-yl]phenol?
2-fluoro-6-[6-methyl-5-(5-methylthiophen-2-yl)-3-(2-phenylethyl)pyrazin-2-yl]phenol has a molecular weight of 404.51 g/mol, XLogP of 6.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[6-methyl-5-(5-methylthiophen-2-yl)-3-(2-phenylethyl)pyrazin-2-yl]phenol is sourced from PubChem (CID 135903265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).