3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxylic acid;tert-butyl N-[[4-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-methylphenyl]methyl]-N-methylcarbamate;methyl 3-amino-6-bromopyrazine-2-carboxylate;3-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine

C73H81BrN18O14S3 — CID 158189688

About 3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxylic acid;tert-butyl N-[[4-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-methylphenyl]methyl]-N-methylcarbamate;methyl 3-amino-6-bromopyrazine-2-carboxylate;3-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine

3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxylic acid;tert-butyl N-[[4-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-methylphenyl]methyl]-N-methylcarbamate;methyl 3-amino-6-bromopyrazine-2-carboxylate;3-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine (PubChem CID 158189688) has the molecular formula C73H81BrN18O14S3 and a molecular weight of 1610.67 g/mol. Its IUPAC name is 3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxylic acid;tert-butyl N-[[4-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-methylphenyl]methyl]-N-methylcarbamate;methyl 3-amino-6-bromopyrazine-2-carboxylate;3-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine.

Molecular Properties

• Compound Name: 3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxylic acid;tert-butyl N-[[4-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-methylphenyl]methyl]-N-methylcarbamate;methyl 3-amino-6-bromopyrazine-2-carboxylate;3-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
• PubChem CID: 158189688
• Molecular Formula: C73H81BrN18O14S3
• Molecular Weight: 1610.67 g/mol
• Exact Mass: 1608.45
• IUPAC Name: 3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxylic acid;tert-butyl N-[[4-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-methylphenyl]methyl]-N-methylcarbamate;methyl 3-amino-6-bromopyrazine-2-carboxylate;3-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
• SMILES: CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)O)n2)cc1.CNCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)o2)c(C)c1.COC(=O)c1nc(Br)cnc1N.Cc1cc(CN(C)C(=O)OC(C)(C)C)ccc1-c1nnc(-c2nc(-c3ccc(S(=O)(=O)C(C)C)cc3)cnc2N)o1
• InChI: InChI=1S/C29H34N6O5S.C24H26N6O3S.C14H15N3O4S.C6H6BrN3O2/c1-17(2)41(37,38)21-11-9-20(10-12-21)23-15-31-25(30)24(32-23)27-34-33-26(39-27)22-13-8-19(14-18(22)3)16-35(7)28(36)40-29(4,5)6;1-14(2)34(31,32)18-8-6-17(7-9-18)20-13-27-22(25)21(28-20)24-30-29-23(33-24)19-10-5-16(12-26-4)11-15(19)3;1-8(2)22(20,21)10-5-3-9(4-6-10)11-7-16-13(15)12(17-11)14(18)19;1-12-6(11)4-5(8)9-2-3(7)10-4/h8-15,17H,16H2,1-7H3,(H2,30,31);5-11,13-14,26H,12H2,1-4H3,(H2,25,27);3-8H,1-2H3,(H2,15,16)(H,18,19);2H,1H3,(H2,8,9)
• InChIKey: FZPAMILDFIPCEJ-UHFFFAOYSA-N
• XLogP: 11.17
• TPSA: 492.63 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 19
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1610.67
LogP ≤ 5	11.17
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxylic acid;tert-butyl N-[[4-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-methylphenyl]methyl]-N-methylcarbamate;methyl 3-amino-6-bromopyrazine-2-carboxylate;3-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?

The IUPAC name of 3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxylic acid;tert-butyl N-[[4-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-methylphenyl]methyl]-N-methylcarbamate;methyl 3-amino-6-bromopyrazine-2-carboxylate;3-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine (CID 158189688) is 3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxylic acid;tert-butyl N-[[4-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-methylphenyl]methyl]-N-methylcarbamate;methyl 3-amino-6-bromopyrazine-2-carboxylate;3-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine.

What is the SMILES notation for 3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxylic acid;tert-butyl N-[[4-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-methylphenyl]methyl]-N-methylcarbamate;methyl 3-amino-6-bromopyrazine-2-carboxylate;3-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?

The canonical SMILES for 3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxylic acid;tert-butyl N-[[4-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-methylphenyl]methyl]-N-methylcarbamate;methyl 3-amino-6-bromopyrazine-2-carboxylate;3-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine is CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)O)n2)cc1.CNCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)o2)c(C)c1.COC(=O)c1nc(Br)cnc1N.Cc1cc(CN(C)C(=O)OC(C)(C)C)ccc1-c1nnc(-c2nc(-c3ccc(S(=O)(=O)C(C)C)cc3)cnc2N)o1.

What is the InChIKey of 3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxylic acid;tert-butyl N-[[4-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-methylphenyl]methyl]-N-methylcarbamate;methyl 3-amino-6-bromopyrazine-2-carboxylate;3-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?

The InChIKey is FZPAMILDFIPCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6O5S.C24H26N6O3S.C14H15N3O4S.C6H6BrN3O2/c1-17(2)41(37,38)21-11-9-20(10-12-21)23-15-31-25(30)24(32-23)27-34-33-26(39-27)22-13-8-19(14-18(22)3)16-35(7)28(36)40-29(4,5)6;1-14(2)34(31,32)18-8-6-17(7-9-18)20-13-27-22(25)21(28-20)24-30-29-23(33-24)19-10-5-16(12-26-4)11-15(19)3;1-8(2)22(20,21)10-5-3-9(4-6-10)11-7-16-13(15)12(17-11)14(18)19;1-12-6(11)4-5(8)9-2-3(7)10-4/h8-15,17H,16H2,1-7H3,(H2,30,31);5-11,13-14,26H,12H2,1-4H3,(H2,25,27);3-8H,1-2H3,(H2,15,16)(H,18,19);2H,1H3,(H2,8,9).

What are the key properties of 3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxylic acid;tert-butyl N-[[4-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-methylphenyl]methyl]-N-methylcarbamate;methyl 3-amino-6-bromopyrazine-2-carboxylate;3-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?

3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxylic acid;tert-butyl N-[[4-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-methylphenyl]methyl]-N-methylcarbamate;methyl 3-amino-6-bromopyrazine-2-carboxylate;3-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine has a molecular weight of 1610.67 g/mol, XLogP of 11.17, 19 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxylic acid;tert-butyl N-[[4-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-methylphenyl]methyl]-N-methylcarbamate;methyl 3-amino-6-bromopyrazine-2-carboxylate;3-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine is sourced from PubChem (CID 158189688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).