3-tert-butyl-5-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpyrazine;3-tert-butyl-5-[3-(cyclopropylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-5-(3,4-dimethoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-propan-2-yloxyphenyl)-2-methylpyrazine;3-tert-butyl-5-[4-methoxy-3-(methylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-2-methyl-5-(6-propan-2-yloxy-3-pyridinyl)pyrazine;N-[4-(6-tert-butyl-5-methylpyrazin-2-yl)phenyl]methanesulfonamide

C123H160ClFN16O12S3 — CID 161107204

About 3-tert-butyl-5-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpyrazine;3-tert-butyl-5-[3-(cyclopropylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-5-(3,4-dimethoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-propan-2-yloxyphenyl)-2-methylpyrazine;3-tert-butyl-5-[4-methoxy-3-(methylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-2-methyl-5-(6-propan-2-yloxy-3-pyridinyl)pyrazine;N-[4-(6-tert-butyl-5-methylpyrazin-2-yl)phenyl]methanesulfonamide

3-tert-butyl-5-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpyrazine;3-tert-butyl-5-[3-(cyclopropylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-5-(3,4-dimethoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-propan-2-yloxyphenyl)-2-methylpyrazine;3-tert-butyl-5-[4-methoxy-3-(methylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-2-methyl-5-(6-propan-2-yloxy-3-pyridinyl)pyrazine;N-[4-(6-tert-butyl-5-methylpyrazin-2-yl)phenyl]methanesulfonamide (PubChem CID 161107204) has the molecular formula C123H160ClFN16O12S3 and a molecular weight of 2205.38 g/mol. Its IUPAC name is 3-tert-butyl-5-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpyrazine;3-tert-butyl-5-[3-(cyclopropylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-5-(3,4-dimethoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-propan-2-yloxyphenyl)-2-methylpyrazine;3-tert-butyl-5-[4-methoxy-3-(methylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-2-methyl-5-(6-propan-2-yloxy-3-pyridinyl)pyrazine;N-[4-(6-tert-butyl-5-methylpyrazin-2-yl)phenyl]methanesulfonamide.

Molecular Properties

• Compound Name: 3-tert-butyl-5-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpyrazine;3-tert-butyl-5-[3-(cyclopropylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-5-(3,4-dimethoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-propan-2-yloxyphenyl)-2-methylpyrazine;3-tert-butyl-5-[4-methoxy-3-(methylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-2-methyl-5-(6-propan-2-yloxy-3-pyridinyl)pyrazine;N-[4-(6-tert-butyl-5-methylpyrazin-2-yl)phenyl]methanesulfonamide
• PubChem CID: 161107204
• Molecular Formula: C123H160ClFN16O12S3
• Molecular Weight: 2205.38 g/mol
• Exact Mass: 2203.12
• IUPAC Name: 3-tert-butyl-5-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpyrazine;3-tert-butyl-5-[3-(cyclopropylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-5-(3,4-dimethoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-propan-2-yloxyphenyl)-2-methylpyrazine;3-tert-butyl-5-[4-methoxy-3-(methylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-2-methyl-5-(6-propan-2-yloxy-3-pyridinyl)pyrazine;N-[4-(6-tert-butyl-5-methylpyrazin-2-yl)phenyl]methanesulfonamide
• SMILES: COc1ccc(-c2cnc(C)c(C(C)(C)C)n2)cc1CS(C)(=O)=O.COc1ccc(-c2cnc(C)c(C(C)(C)C)n2)cc1OC.Cc1ncc(-c2ccc(NS(C)(=O)=O)cc2)nc1C(C)(C)C.Cc1ncc(-c2ccc(OC(C)C)c(Cl)c2)nc1C(C)(C)C.Cc1ncc(-c2ccc(OC(C)C)c(F)c2)nc1C(C)(C)C.Cc1ncc(-c2ccc(OC(C)C)nc2)nc1C(C)(C)C.Cc1ncc(-c2cccc(CS(=O)(=O)C3CC3)c2)nc1C(C)(C)C
• InChI: InChI=1S/C19H24N2O2S.C18H23ClN2O.C18H23FN2O.C18H24N2O3S.C17H23N3O.C17H22N2O2.C16H21N3O2S/c1-13-18(19(2,3)4)21-17(11-20-13)15-7-5-6-14(10-15)12-24(22,23)16-8-9-16;2*1-11(2)22-16-8-7-13(9-14(16)19)15-10-20-12(3)17(21-15)18(4,5)6;1-12-17(18(2,3)4)20-15(10-19-12)13-7-8-16(23-5)14(9-13)11-24(6,21)22;1-11(2)21-15-8-7-13(9-19-15)14-10-18-12(3)16(20-14)17(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;1-11-15(16(2,3)4)18-14(10-17-11)12-6-8-13(9-7-12)19-22(5,20)21/h5-7,10-11,16H,8-9,12H2,1-4H3;2*7-11H,1-6H3;7-10H,11H2,1-6H3;7-11H,1-6H3;7-10H,1-6H3;6-10,19H,1-5H3
• InChIKey: UJFDRWWXQCFQBQ-UHFFFAOYSA-N
• XLogP: 27.81
• TPSA: 363.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 27
• Rotatable Bonds: 23
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2205.38
LogP ≤ 5	27.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpyrazine;3-tert-butyl-5-[3-(cyclopropylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-5-(3,4-dimethoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-propan-2-yloxyphenyl)-2-methylpyrazine;3-tert-butyl-5-[4-methoxy-3-(methylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-2-methyl-5-(6-propan-2-yloxy-3-pyridinyl)pyrazine;N-[4-(6-tert-butyl-5-methylpyrazin-2-yl)phenyl]methanesulfonamide?

The IUPAC name of 3-tert-butyl-5-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpyrazine;3-tert-butyl-5-[3-(cyclopropylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-5-(3,4-dimethoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-propan-2-yloxyphenyl)-2-methylpyrazine;3-tert-butyl-5-[4-methoxy-3-(methylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-2-methyl-5-(6-propan-2-yloxy-3-pyridinyl)pyrazine;N-[4-(6-tert-butyl-5-methylpyrazin-2-yl)phenyl]methanesulfonamide (CID 161107204) is 3-tert-butyl-5-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpyrazine;3-tert-butyl-5-[3-(cyclopropylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-5-(3,4-dimethoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-propan-2-yloxyphenyl)-2-methylpyrazine;3-tert-butyl-5-[4-methoxy-3-(methylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-2-methyl-5-(6-propan-2-yloxy-3-pyridinyl)pyrazine;N-[4-(6-tert-butyl-5-methylpyrazin-2-yl)phenyl]methanesulfonamide.

What is the SMILES notation for 3-tert-butyl-5-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpyrazine;3-tert-butyl-5-[3-(cyclopropylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-5-(3,4-dimethoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-propan-2-yloxyphenyl)-2-methylpyrazine;3-tert-butyl-5-[4-methoxy-3-(methylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-2-methyl-5-(6-propan-2-yloxy-3-pyridinyl)pyrazine;N-[4-(6-tert-butyl-5-methylpyrazin-2-yl)phenyl]methanesulfonamide?

The canonical SMILES for 3-tert-butyl-5-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpyrazine;3-tert-butyl-5-[3-(cyclopropylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-5-(3,4-dimethoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-propan-2-yloxyphenyl)-2-methylpyrazine;3-tert-butyl-5-[4-methoxy-3-(methylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-2-methyl-5-(6-propan-2-yloxy-3-pyridinyl)pyrazine;N-[4-(6-tert-butyl-5-methylpyrazin-2-yl)phenyl]methanesulfonamide is COc1ccc(-c2cnc(C)c(C(C)(C)C)n2)cc1CS(C)(=O)=O.COc1ccc(-c2cnc(C)c(C(C)(C)C)n2)cc1OC.Cc1ncc(-c2ccc(NS(C)(=O)=O)cc2)nc1C(C)(C)C.Cc1ncc(-c2ccc(OC(C)C)c(Cl)c2)nc1C(C)(C)C.Cc1ncc(-c2ccc(OC(C)C)c(F)c2)nc1C(C)(C)C.Cc1ncc(-c2ccc(OC(C)C)nc2)nc1C(C)(C)C.Cc1ncc(-c2cccc(CS(=O)(=O)C3CC3)c2)nc1C(C)(C)C.

What is the InChIKey of 3-tert-butyl-5-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpyrazine;3-tert-butyl-5-[3-(cyclopropylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-5-(3,4-dimethoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-propan-2-yloxyphenyl)-2-methylpyrazine;3-tert-butyl-5-[4-methoxy-3-(methylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-2-methyl-5-(6-propan-2-yloxy-3-pyridinyl)pyrazine;N-[4-(6-tert-butyl-5-methylpyrazin-2-yl)phenyl]methanesulfonamide?

The InChIKey is UJFDRWWXQCFQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S.C18H23ClN2O.C18H23FN2O.C18H24N2O3S.C17H23N3O.C17H22N2O2.C16H21N3O2S/c1-13-18(19(2,3)4)21-17(11-20-13)15-7-5-6-14(10-15)12-24(22,23)16-8-9-16;2*1-11(2)22-16-8-7-13(9-14(16)19)15-10-20-12(3)17(21-15)18(4,5)6;1-12-17(18(2,3)4)20-15(10-19-12)13-7-8-16(23-5)14(9-13)11-24(6,21)22;1-11(2)21-15-8-7-13(9-19-15)14-10-18-12(3)16(20-14)17(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;1-11-15(16(2,3)4)18-14(10-17-11)12-6-8-13(9-7-12)19-22(5,20)21/h5-7,10-11,16H,8-9,12H2,1-4H3;2*7-11H,1-6H3;7-10H,11H2,1-6H3;7-11H,1-6H3;7-10H,1-6H3;6-10,19H,1-5H3.

What are the key properties of 3-tert-butyl-5-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpyrazine;3-tert-butyl-5-[3-(cyclopropylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-5-(3,4-dimethoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-propan-2-yloxyphenyl)-2-methylpyrazine;3-tert-butyl-5-[4-methoxy-3-(methylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-2-methyl-5-(6-propan-2-yloxy-3-pyridinyl)pyrazine;N-[4-(6-tert-butyl-5-methylpyrazin-2-yl)phenyl]methanesulfonamide?

3-tert-butyl-5-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpyrazine;3-tert-butyl-5-[3-(cyclopropylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-5-(3,4-dimethoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-propan-2-yloxyphenyl)-2-methylpyrazine;3-tert-butyl-5-[4-methoxy-3-(methylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-2-methyl-5-(6-propan-2-yloxy-3-pyridinyl)pyrazine;N-[4-(6-tert-butyl-5-methylpyrazin-2-yl)phenyl]methanesulfonamide has a molecular weight of 2205.38 g/mol, XLogP of 27.81, 23 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-5-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpyrazine;3-tert-butyl-5-[3-(cyclopropylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-5-(3,4-dimethoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-propan-2-yloxyphenyl)-2-methylpyrazine;3-tert-butyl-5-[4-methoxy-3-(methylsulfonylmethyl)phenyl]-2-methylpyrazine;3-tert-butyl-2-methyl-5-(6-propan-2-yloxy-3-pyridinyl)pyrazine;N-[4-(6-tert-butyl-5-methylpyrazin-2-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 161107204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).