4-[5-amino-6-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;3-amino-6-[4-(dimethylcarbamoyl)phenyl]pyrazine-2-carboxylic acid;4-[5-amino-6-[5-(2-thiophen-3-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methyl 3-amino-6-bromopyrazine-2-carboxylate

C66H57Br2N19O9S — CID 157449313

IUPAC4-[5-amino-6-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;3-amino-6-[4-(dimethylcarbamoyl)phenyl]pyrazine-2-carboxylic acid;4-[5-amino-6-[5-(2-thiophen-3-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methyl 3-amino-6-bromopyrazine-2-carboxylate
SMILESCN(C)C(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccccc4-c4ccsc4)o3)n2)cc1.CN(C)C(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccccc4Br)o3)n2)cc1.CN(C)C(=O)c1ccc(-c2cnc(N)c(C(=O)O)n2)cc1.COC(=O)c1nc(Br)cnc1N
InChIInChI=1S/C25H20N6O2S.C21H17BrN6O2.C14H14N4O3.C6H6BrN3O2/c1-31(2)25(32)16-9-7-15(8-10-16)20-13-27-22(26)21(28-20)24-30-29-23(33-24)19-6-4-3-5-18(19)17-11-12-34-14-17;1-28(2)21(29)13-9-7-12(8-10-13)16-11-24-18(23)17(25-16)20-27-26-19(30-20)14-5-3-4-6-15(14)22;1-18(2)13(19)9-5-3-8(4-6-9)10-7-16-12(15)11(17-10)14(20)21;1-12-6(11)4-5(8)9-2-3(7)10-4/h3-14H,1-2H3,(H2,26,27);3-11H,1-2H3,(H2,23,24);3-7H,1-2H3,(H2,15,16)(H,20,21);2H,1H3,(H2,8,9)
InChIKeyBSPPFEVZQJDDTA-UHFFFAOYSA-N
MW1452.18 g/mol
LogP10.51
Rot. Bonds13

About 4-[5-amino-6-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;3-amino-6-[4-(dimethylcarbamoyl)phenyl]pyrazine-2-carboxylic acid;4-[5-amino-6-[5-(2-thiophen-3-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methyl 3-amino-6-bromopyrazine-2-carboxylate

4-[5-amino-6-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;3-amino-6-[4-(dimethylcarbamoyl)phenyl]pyrazine-2-carboxylic acid;4-[5-amino-6-[5-(2-thiophen-3-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methyl 3-amino-6-bromopyrazine-2-carboxylate (PubChem CID 157449313) has the molecular formula C66H57Br2N19O9S and a molecular weight of 1452.18 g/mol. Its IUPAC name is 4-[5-amino-6-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;3-amino-6-[4-(dimethylcarbamoyl)phenyl]pyrazine-2-carboxylic acid;4-[5-amino-6-[5-(2-thiophen-3-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methyl 3-amino-6-bromopyrazine-2-carboxylate.

Molecular Properties

Compound Name4-[5-amino-6-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;3-amino-6-[4-(dimethylcarbamoyl)phenyl]pyrazine-2-carboxylic acid;4-[5-amino-6-[5-(2-thiophen-3-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methyl 3-amino-6-bromopyrazine-2-carboxylate
PubChem CID157449313
Molecular FormulaC66H57Br2N19O9S
Molecular Weight1452.18 g/mol
Exact Mass1449.27
IUPAC Name4-[5-amino-6-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;3-amino-6-[4-(dimethylcarbamoyl)phenyl]pyrazine-2-carboxylic acid;4-[5-amino-6-[5-(2-thiophen-3-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methyl 3-amino-6-bromopyrazine-2-carboxylate
SMILESCN(C)C(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccccc4-c4ccsc4)o3)n2)cc1.CN(C)C(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccccc4Br)o3)n2)cc1.CN(C)C(=O)c1ccc(-c2cnc(N)c(C(=O)O)n2)cc1.COC(=O)c1nc(Br)cnc1N
InChIInChI=1S/C25H20N6O2S.C21H17BrN6O2.C14H14N4O3.C6H6BrN3O2/c1-31(2)25(32)16-9-7-15(8-10-16)20-13-27-22(26)21(28-20)24-30-29-23(33-24)19-6-4-3-5-18(19)17-11-12-34-14-17;1-28(2)21(29)13-9-7-12(8-10-13)16-11-24-18(23)17(25-16)20-27-26-19(30-20)14-5-3-4-6-15(14)22;1-18(2)13(19)9-5-3-8(4-6-9)10-7-16-12(15)11(17-10)14(20)21;1-12-6(11)4-5(8)9-2-3(7)10-4/h3-14H,1-2H3,(H2,26,27);3-11H,1-2H3,(H2,23,24);3-7H,1-2H3,(H2,15,16)(H,20,21);2H,1H3,(H2,8,9)
InChIKeyBSPPFEVZQJDDTA-UHFFFAOYSA-N
XLogP10.51
TPSA409.57 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds13
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001452.18
LogP ≤ 510.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze 4-[5-amino-6-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;3-amino-6-[4-(dimethylcarbamoyl)phenyl]pyrazine-2-carboxylic acid;4-[5-amino-6-[5-(2-thiophen-3-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methyl 3-amino-6-bromopyrazine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-6-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;3-amino-6-[4-(dimethylcarbamoyl)phenyl]pyrazine-2-carboxylic acid;4-[5-amino-6-[5-(2-thiophen-3-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methyl 3-amino-6-bromopyrazine-2-carboxylate?
The IUPAC name of 4-[5-amino-6-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;3-amino-6-[4-(dimethylcarbamoyl)phenyl]pyrazine-2-carboxylic acid;4-[5-amino-6-[5-(2-thiophen-3-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methyl 3-amino-6-bromopyrazine-2-carboxylate (CID 157449313) is 4-[5-amino-6-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;3-amino-6-[4-(dimethylcarbamoyl)phenyl]pyrazine-2-carboxylic acid;4-[5-amino-6-[5-(2-thiophen-3-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methyl 3-amino-6-bromopyrazine-2-carboxylate.
What is the SMILES notation for 4-[5-amino-6-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;3-amino-6-[4-(dimethylcarbamoyl)phenyl]pyrazine-2-carboxylic acid;4-[5-amino-6-[5-(2-thiophen-3-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methyl 3-amino-6-bromopyrazine-2-carboxylate?
The canonical SMILES for 4-[5-amino-6-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;3-amino-6-[4-(dimethylcarbamoyl)phenyl]pyrazine-2-carboxylic acid;4-[5-amino-6-[5-(2-thiophen-3-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methyl 3-amino-6-bromopyrazine-2-carboxylate is CN(C)C(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccccc4-c4ccsc4)o3)n2)cc1.CN(C)C(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccccc4Br)o3)n2)cc1.CN(C)C(=O)c1ccc(-c2cnc(N)c(C(=O)O)n2)cc1.COC(=O)c1nc(Br)cnc1N.
What is the InChIKey of 4-[5-amino-6-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;3-amino-6-[4-(dimethylcarbamoyl)phenyl]pyrazine-2-carboxylic acid;4-[5-amino-6-[5-(2-thiophen-3-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methyl 3-amino-6-bromopyrazine-2-carboxylate?
The InChIKey is BSPPFEVZQJDDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O2S.C21H17BrN6O2.C14H14N4O3.C6H6BrN3O2/c1-31(2)25(32)16-9-7-15(8-10-16)20-13-27-22(26)21(28-20)24-30-29-23(33-24)19-6-4-3-5-18(19)17-11-12-34-14-17;1-28(2)21(29)13-9-7-12(8-10-13)16-11-24-18(23)17(25-16)20-27-26-19(30-20)14-5-3-4-6-15(14)22;1-18(2)13(19)9-5-3-8(4-6-9)10-7-16-12(15)11(17-10)14(20)21;1-12-6(11)4-5(8)9-2-3(7)10-4/h3-14H,1-2H3,(H2,26,27);3-11H,1-2H3,(H2,23,24);3-7H,1-2H3,(H2,15,16)(H,20,21);2H,1H3,(H2,8,9).
What are the key properties of 4-[5-amino-6-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;3-amino-6-[4-(dimethylcarbamoyl)phenyl]pyrazine-2-carboxylic acid;4-[5-amino-6-[5-(2-thiophen-3-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methyl 3-amino-6-bromopyrazine-2-carboxylate?
4-[5-amino-6-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;3-amino-6-[4-(dimethylcarbamoyl)phenyl]pyrazine-2-carboxylic acid;4-[5-amino-6-[5-(2-thiophen-3-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methyl 3-amino-6-bromopyrazine-2-carboxylate has a molecular weight of 1452.18 g/mol, XLogP of 10.51, 13 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-6-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;3-amino-6-[4-(dimethylcarbamoyl)phenyl]pyrazine-2-carboxylic acid;4-[5-amino-6-[5-(2-thiophen-3-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;methyl 3-amino-6-bromopyrazine-2-carboxylate is sourced from PubChem (CID 157449313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).