5-[2-fluoro-6-[2-[3-(4-methoxyphenyl)pyrazin-2-yl]ethyl]-4-(3-methylpyrazin-2-yl)phenyl]-3-methyl-2-[3-(trifluoromethyl)phenyl]pyrazine

C36H28F4N6O — CID 139441427

IUPAC5-[2-fluoro-6-[2-[3-(4-methoxyphenyl)pyrazin-2-yl]ethyl]-4-(3-methylpyrazin-2-yl)phenyl]-3-methyl-2-[3-(trifluoromethyl)phenyl]pyrazine
SMILESCOc1ccc(-c2nccnc2CCc2cc(-c3nccnc3C)cc(F)c2-c2cnc(-c3cccc(C(F)(F)F)c3)c(C)n2)cc1
InChIInChI=1S/C36H28F4N6O/c1-21-33(43-15-13-41-21)26-17-24(9-12-30-35(44-16-14-42-30)23-7-10-28(47-3)11-8-23)32(29(37)19-26)31-20-45-34(22(2)46-31)25-5-4-6-27(18-25)36(38,39)40/h4-8,10-11,13-20H,9,12H2,1-3H3
InChIKeyVVCBULGPNBZQSD-UHFFFAOYSA-N
MW636.65 g/mol
LogP8.29
Rot. Bonds8

About 5-[2-fluoro-6-[2-[3-(4-methoxyphenyl)pyrazin-2-yl]ethyl]-4-(3-methylpyrazin-2-yl)phenyl]-3-methyl-2-[3-(trifluoromethyl)phenyl]pyrazine

5-[2-fluoro-6-[2-[3-(4-methoxyphenyl)pyrazin-2-yl]ethyl]-4-(3-methylpyrazin-2-yl)phenyl]-3-methyl-2-[3-(trifluoromethyl)phenyl]pyrazine (PubChem CID 139441427) has the molecular formula C36H28F4N6O and a molecular weight of 636.65 g/mol. Its IUPAC name is 5-[2-fluoro-6-[2-[3-(4-methoxyphenyl)pyrazin-2-yl]ethyl]-4-(3-methylpyrazin-2-yl)phenyl]-3-methyl-2-[3-(trifluoromethyl)phenyl]pyrazine.

Molecular Properties

Compound Name5-[2-fluoro-6-[2-[3-(4-methoxyphenyl)pyrazin-2-yl]ethyl]-4-(3-methylpyrazin-2-yl)phenyl]-3-methyl-2-[3-(trifluoromethyl)phenyl]pyrazine
PubChem CID139441427
Molecular FormulaC36H28F4N6O
Molecular Weight636.65 g/mol
Exact Mass636.23
IUPAC Name5-[2-fluoro-6-[2-[3-(4-methoxyphenyl)pyrazin-2-yl]ethyl]-4-(3-methylpyrazin-2-yl)phenyl]-3-methyl-2-[3-(trifluoromethyl)phenyl]pyrazine
SMILESCOc1ccc(-c2nccnc2CCc2cc(-c3nccnc3C)cc(F)c2-c2cnc(-c3cccc(C(F)(F)F)c3)c(C)n2)cc1
InChIInChI=1S/C36H28F4N6O/c1-21-33(43-15-13-41-21)26-17-24(9-12-30-35(44-16-14-42-30)23-7-10-28(47-3)11-8-23)32(29(37)19-26)31-20-45-34(22(2)46-31)25-5-4-6-27(18-25)36(38,39)40/h4-8,10-11,13-20H,9,12H2,1-3H3
InChIKeyVVCBULGPNBZQSD-UHFFFAOYSA-N
XLogP8.29
TPSA86.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.65
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[2-fluoro-6-[2-[3-(4-methoxyphenyl)pyrazin-2-yl]ethyl]-4-(3-methylpyrazin-2-yl)phenyl]-3-methyl-2-[3-(trifluoromethyl)phenyl]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-6-[2-[3-(4-methoxyphenyl)pyrazin-2-yl]ethyl]-4-(3-methylpyrazin-2-yl)phenyl]-3-methyl-2-[3-(trifluoromethyl)phenyl]pyrazine?
The IUPAC name of 5-[2-fluoro-6-[2-[3-(4-methoxyphenyl)pyrazin-2-yl]ethyl]-4-(3-methylpyrazin-2-yl)phenyl]-3-methyl-2-[3-(trifluoromethyl)phenyl]pyrazine (CID 139441427) is 5-[2-fluoro-6-[2-[3-(4-methoxyphenyl)pyrazin-2-yl]ethyl]-4-(3-methylpyrazin-2-yl)phenyl]-3-methyl-2-[3-(trifluoromethyl)phenyl]pyrazine.
What is the SMILES notation for 5-[2-fluoro-6-[2-[3-(4-methoxyphenyl)pyrazin-2-yl]ethyl]-4-(3-methylpyrazin-2-yl)phenyl]-3-methyl-2-[3-(trifluoromethyl)phenyl]pyrazine?
The canonical SMILES for 5-[2-fluoro-6-[2-[3-(4-methoxyphenyl)pyrazin-2-yl]ethyl]-4-(3-methylpyrazin-2-yl)phenyl]-3-methyl-2-[3-(trifluoromethyl)phenyl]pyrazine is COc1ccc(-c2nccnc2CCc2cc(-c3nccnc3C)cc(F)c2-c2cnc(-c3cccc(C(F)(F)F)c3)c(C)n2)cc1.
What is the InChIKey of 5-[2-fluoro-6-[2-[3-(4-methoxyphenyl)pyrazin-2-yl]ethyl]-4-(3-methylpyrazin-2-yl)phenyl]-3-methyl-2-[3-(trifluoromethyl)phenyl]pyrazine?
The InChIKey is VVCBULGPNBZQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28F4N6O/c1-21-33(43-15-13-41-21)26-17-24(9-12-30-35(44-16-14-42-30)23-7-10-28(47-3)11-8-23)32(29(37)19-26)31-20-45-34(22(2)46-31)25-5-4-6-27(18-25)36(38,39)40/h4-8,10-11,13-20H,9,12H2,1-3H3.
What are the key properties of 5-[2-fluoro-6-[2-[3-(4-methoxyphenyl)pyrazin-2-yl]ethyl]-4-(3-methylpyrazin-2-yl)phenyl]-3-methyl-2-[3-(trifluoromethyl)phenyl]pyrazine?
5-[2-fluoro-6-[2-[3-(4-methoxyphenyl)pyrazin-2-yl]ethyl]-4-(3-methylpyrazin-2-yl)phenyl]-3-methyl-2-[3-(trifluoromethyl)phenyl]pyrazine has a molecular weight of 636.65 g/mol, XLogP of 8.29, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-6-[2-[3-(4-methoxyphenyl)pyrazin-2-yl]ethyl]-4-(3-methylpyrazin-2-yl)phenyl]-3-methyl-2-[3-(trifluoromethyl)phenyl]pyrazine is sourced from PubChem (CID 139441427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).