3-tert-butyl-5-(3,4-dimethoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-2-methyl-5-(1-methylpyrazol-4-yl)pyrazine;3-tert-butyl-2-methyl-5-(4-propan-2-yloxyphenyl)pyrazine;3-(6-tert-butyl-5-methylpyrazin-2-yl)phenol;3-tert-butyl-2-methyl-5-(1H-pyrazol-4-yl)pyrazine

C107H137FN18O6 — CID 158842327

IUPAC3-tert-butyl-5-(3,4-dimethoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-2-methyl-5-(1-methylpyrazol-4-yl)pyrazine;3-tert-butyl-2-methyl-5-(4-propan-2-yloxyphenyl)pyrazine;3-(6-tert-butyl-5-methylpyrazin-2-yl)phenol;3-tert-butyl-2-methyl-5-(1H-pyrazol-4-yl)pyrazine
SMILESCOc1ccc(-c2cnc(C)c(C(C)(C)C)n2)cc1F.COc1ccc(-c2cnc(C)c(C(C)(C)C)n2)cc1OC.COc1cccc(-c2cnc(C)c(C(C)(C)C)n2)c1.Cc1ncc(-c2ccc(OC(C)C)cc2)nc1C(C)(C)C.Cc1ncc(-c2cccc(O)c2)nc1C(C)(C)C.Cc1ncc(-c2cn[nH]c2)nc1C(C)(C)C.Cc1ncc(-c2cnn(C)c2)nc1C(C)(C)C
InChIInChI=1S/C18H24N2O.C17H22N2O2.C16H19FN2O.C16H20N2O.C15H18N2O.C13H18N4.C12H16N4/c1-12(2)21-15-9-7-14(8-10-15)16-11-19-13(3)17(20-16)18(4,5)6;1-11-16(17(2,3)4)19-13(10-18-11)12-7-8-14(20-5)15(9-12)21-6;1-10-15(16(2,3)4)19-13(9-18-10)11-6-7-14(20-5)12(17)8-11;1-11-15(16(2,3)4)18-14(10-17-11)12-7-6-8-13(9-12)19-5;1-10-14(15(2,3)4)17-13(9-16-10)11-6-5-7-12(18)8-11;1-9-12(13(2,3)4)16-11(7-14-9)10-6-15-17(5)8-10;1-8-11(12(2,3)4)16-10(7-13-8)9-5-14-15-6-9/h7-12H,1-6H3;7-10H,1-6H3;6-9H,1-5H3;6-10H,1-5H3;5-9,18H,1-4H3;6-8H,1-5H3;5-7H,1-4H3,(H,14,15)
InChIKeyIYKAGVVWYPYFTF-UHFFFAOYSA-N
MW1790.39 g/mol
LogP24.37
Rot. Bonds13

About 3-tert-butyl-5-(3,4-dimethoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-2-methyl-5-(1-methylpyrazol-4-yl)pyrazine;3-tert-butyl-2-methyl-5-(4-propan-2-yloxyphenyl)pyrazine;3-(6-tert-butyl-5-methylpyrazin-2-yl)phenol;3-tert-butyl-2-methyl-5-(1H-pyrazol-4-yl)pyrazine

3-tert-butyl-5-(3,4-dimethoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-2-methyl-5-(1-methylpyrazol-4-yl)pyrazine;3-tert-butyl-2-methyl-5-(4-propan-2-yloxyphenyl)pyrazine;3-(6-tert-butyl-5-methylpyrazin-2-yl)phenol;3-tert-butyl-2-methyl-5-(1H-pyrazol-4-yl)pyrazine (PubChem CID 158842327) has the molecular formula C107H137FN18O6 and a molecular weight of 1790.39 g/mol. Its IUPAC name is 3-tert-butyl-5-(3,4-dimethoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-2-methyl-5-(1-methylpyrazol-4-yl)pyrazine;3-tert-butyl-2-methyl-5-(4-propan-2-yloxyphenyl)pyrazine;3-(6-tert-butyl-5-methylpyrazin-2-yl)phenol;3-tert-butyl-2-methyl-5-(1H-pyrazol-4-yl)pyrazine.

Molecular Properties

Compound Name3-tert-butyl-5-(3,4-dimethoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-2-methyl-5-(1-methylpyrazol-4-yl)pyrazine;3-tert-butyl-2-methyl-5-(4-propan-2-yloxyphenyl)pyrazine;3-(6-tert-butyl-5-methylpyrazin-2-yl)phenol;3-tert-butyl-2-methyl-5-(1H-pyrazol-4-yl)pyrazine
PubChem CID158842327
Molecular FormulaC107H137FN18O6
Molecular Weight1790.39 g/mol
Exact Mass1789.10
IUPAC Name3-tert-butyl-5-(3,4-dimethoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-2-methyl-5-(1-methylpyrazol-4-yl)pyrazine;3-tert-butyl-2-methyl-5-(4-propan-2-yloxyphenyl)pyrazine;3-(6-tert-butyl-5-methylpyrazin-2-yl)phenol;3-tert-butyl-2-methyl-5-(1H-pyrazol-4-yl)pyrazine
SMILESCOc1ccc(-c2cnc(C)c(C(C)(C)C)n2)cc1F.COc1ccc(-c2cnc(C)c(C(C)(C)C)n2)cc1OC.COc1cccc(-c2cnc(C)c(C(C)(C)C)n2)c1.Cc1ncc(-c2ccc(OC(C)C)cc2)nc1C(C)(C)C.Cc1ncc(-c2cccc(O)c2)nc1C(C)(C)C.Cc1ncc(-c2cn[nH]c2)nc1C(C)(C)C.Cc1ncc(-c2cnn(C)c2)nc1C(C)(C)C
InChIInChI=1S/C18H24N2O.C17H22N2O2.C16H19FN2O.C16H20N2O.C15H18N2O.C13H18N4.C12H16N4/c1-12(2)21-15-9-7-14(8-10-15)16-11-19-13(3)17(20-16)18(4,5)6;1-11-16(17(2,3)4)19-13(10-18-11)12-7-8-14(20-5)15(9-12)21-6;1-10-15(16(2,3)4)19-13(9-18-10)11-6-7-14(20-5)12(17)8-11;1-11-15(16(2,3)4)18-14(10-17-11)12-7-6-8-13(9-12)19-5;1-10-14(15(2,3)4)17-13(9-16-10)11-6-5-7-12(18)8-11;1-9-12(13(2,3)4)16-11(7-14-9)10-6-15-17(5)8-10;1-8-11(12(2,3)4)16-10(7-13-8)9-5-14-15-6-9/h7-12H,1-6H3;7-10H,1-6H3;6-9H,1-5H3;6-10H,1-5H3;5-9,18H,1-4H3;6-8H,1-5H3;5-7H,1-4H3,(H,14,15)
InChIKeyIYKAGVVWYPYFTF-UHFFFAOYSA-N
XLogP24.37
TPSA293.34 Ų
H-Bond Donors2
H-Bond Acceptors23
Rotatable Bonds13
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001790.39
LogP ≤ 524.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1023

Analyze 3-tert-butyl-5-(3,4-dimethoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-2-methyl-5-(1-methylpyrazol-4-yl)pyrazine;3-tert-butyl-2-methyl-5-(4-propan-2-yloxyphenyl)pyrazine;3-(6-tert-butyl-5-methylpyrazin-2-yl)phenol;3-tert-butyl-2-methyl-5-(1H-pyrazol-4-yl)pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(3,4-dimethoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-2-methyl-5-(1-methylpyrazol-4-yl)pyrazine;3-tert-butyl-2-methyl-5-(4-propan-2-yloxyphenyl)pyrazine;3-(6-tert-butyl-5-methylpyrazin-2-yl)phenol;3-tert-butyl-2-methyl-5-(1H-pyrazol-4-yl)pyrazine?
The IUPAC name of 3-tert-butyl-5-(3,4-dimethoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-2-methyl-5-(1-methylpyrazol-4-yl)pyrazine;3-tert-butyl-2-methyl-5-(4-propan-2-yloxyphenyl)pyrazine;3-(6-tert-butyl-5-methylpyrazin-2-yl)phenol;3-tert-butyl-2-methyl-5-(1H-pyrazol-4-yl)pyrazine (CID 158842327) is 3-tert-butyl-5-(3,4-dimethoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-2-methyl-5-(1-methylpyrazol-4-yl)pyrazine;3-tert-butyl-2-methyl-5-(4-propan-2-yloxyphenyl)pyrazine;3-(6-tert-butyl-5-methylpyrazin-2-yl)phenol;3-tert-butyl-2-methyl-5-(1H-pyrazol-4-yl)pyrazine.
What is the SMILES notation for 3-tert-butyl-5-(3,4-dimethoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-2-methyl-5-(1-methylpyrazol-4-yl)pyrazine;3-tert-butyl-2-methyl-5-(4-propan-2-yloxyphenyl)pyrazine;3-(6-tert-butyl-5-methylpyrazin-2-yl)phenol;3-tert-butyl-2-methyl-5-(1H-pyrazol-4-yl)pyrazine?
The canonical SMILES for 3-tert-butyl-5-(3,4-dimethoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-2-methyl-5-(1-methylpyrazol-4-yl)pyrazine;3-tert-butyl-2-methyl-5-(4-propan-2-yloxyphenyl)pyrazine;3-(6-tert-butyl-5-methylpyrazin-2-yl)phenol;3-tert-butyl-2-methyl-5-(1H-pyrazol-4-yl)pyrazine is COc1ccc(-c2cnc(C)c(C(C)(C)C)n2)cc1F.COc1ccc(-c2cnc(C)c(C(C)(C)C)n2)cc1OC.COc1cccc(-c2cnc(C)c(C(C)(C)C)n2)c1.Cc1ncc(-c2ccc(OC(C)C)cc2)nc1C(C)(C)C.Cc1ncc(-c2cccc(O)c2)nc1C(C)(C)C.Cc1ncc(-c2cn[nH]c2)nc1C(C)(C)C.Cc1ncc(-c2cnn(C)c2)nc1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-5-(3,4-dimethoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-2-methyl-5-(1-methylpyrazol-4-yl)pyrazine;3-tert-butyl-2-methyl-5-(4-propan-2-yloxyphenyl)pyrazine;3-(6-tert-butyl-5-methylpyrazin-2-yl)phenol;3-tert-butyl-2-methyl-5-(1H-pyrazol-4-yl)pyrazine?
The InChIKey is IYKAGVVWYPYFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O.C17H22N2O2.C16H19FN2O.C16H20N2O.C15H18N2O.C13H18N4.C12H16N4/c1-12(2)21-15-9-7-14(8-10-15)16-11-19-13(3)17(20-16)18(4,5)6;1-11-16(17(2,3)4)19-13(10-18-11)12-7-8-14(20-5)15(9-12)21-6;1-10-15(16(2,3)4)19-13(9-18-10)11-6-7-14(20-5)12(17)8-11;1-11-15(16(2,3)4)18-14(10-17-11)12-7-6-8-13(9-12)19-5;1-10-14(15(2,3)4)17-13(9-16-10)11-6-5-7-12(18)8-11;1-9-12(13(2,3)4)16-11(7-14-9)10-6-15-17(5)8-10;1-8-11(12(2,3)4)16-10(7-13-8)9-5-14-15-6-9/h7-12H,1-6H3;7-10H,1-6H3;6-9H,1-5H3;6-10H,1-5H3;5-9,18H,1-4H3;6-8H,1-5H3;5-7H,1-4H3,(H,14,15).
What are the key properties of 3-tert-butyl-5-(3,4-dimethoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-2-methyl-5-(1-methylpyrazol-4-yl)pyrazine;3-tert-butyl-2-methyl-5-(4-propan-2-yloxyphenyl)pyrazine;3-(6-tert-butyl-5-methylpyrazin-2-yl)phenol;3-tert-butyl-2-methyl-5-(1H-pyrazol-4-yl)pyrazine?
3-tert-butyl-5-(3,4-dimethoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-2-methyl-5-(1-methylpyrazol-4-yl)pyrazine;3-tert-butyl-2-methyl-5-(4-propan-2-yloxyphenyl)pyrazine;3-(6-tert-butyl-5-methylpyrazin-2-yl)phenol;3-tert-butyl-2-methyl-5-(1H-pyrazol-4-yl)pyrazine has a molecular weight of 1790.39 g/mol, XLogP of 24.37, 13 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-(3,4-dimethoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-2-methyl-5-(1-methylpyrazol-4-yl)pyrazine;3-tert-butyl-2-methyl-5-(4-propan-2-yloxyphenyl)pyrazine;3-(6-tert-butyl-5-methylpyrazin-2-yl)phenol;3-tert-butyl-2-methyl-5-(1H-pyrazol-4-yl)pyrazine is sourced from PubChem (CID 158842327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).