3-amino-6-bromopyrazine-2-carboxylic acid;4-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine

C45H41BrN14O7S3 — CID 158004602

About 3-amino-6-bromopyrazine-2-carboxylic acid;4-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine

3-amino-6-bromopyrazine-2-carboxylic acid;4-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine (PubChem CID 158004602) has the molecular formula C45H41BrN14O7S3 and a molecular weight of 1066.02 g/mol. Its IUPAC name is 3-amino-6-bromopyrazine-2-carboxylic acid;4-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine.

Molecular Properties

• Compound Name: 3-amino-6-bromopyrazine-2-carboxylic acid;4-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
• PubChem CID: 158004602
• Molecular Formula: C45H41BrN14O7S3
• Molecular Weight: 1066.02 g/mol
• Exact Mass: 1064.16
• IUPAC Name: 3-amino-6-bromopyrazine-2-carboxylic acid;4-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
• SMILES: Cc1ccsc1-c1nnc(-c2nc(-c3ccc(C(=O)N(C)C)cc3)cnc2N)o1.Cc1ccsc1-c1nnc(-c2nc(-c3ccc(S(=O)(=O)C(C)C)cc3)cnc2N)o1.Nc1ncc(Br)nc1C(=O)O
• InChI: InChI=1S/C20H18N6O2S.C20H19N5O3S2.C5H4BrN3O2/c1-11-8-9-29-16(11)19-25-24-18(28-19)15-17(21)22-10-14(23-15)12-4-6-13(7-5-12)20(27)26(2)3;1-11(2)30(26,27)14-6-4-13(5-7-14)15-10-22-18(21)16(23-15)19-24-25-20(28-19)17-12(3)8-9-29-17;6-2-1-8-4(7)3(9-2)5(10)11/h4-10H,1-3H3,(H2,21,22);4-11H,1-3H3,(H2,21,22);1H,(H2,7,8)(H,10,11)
• InChIKey: FEDCQLBCMKHOMI-UHFFFAOYSA-N
• XLogP: 8.03
• TPSA: 324.99 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 10
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1066.02
LogP ≤ 5	8.03
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-bromopyrazine-2-carboxylic acid;4-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?

The IUPAC name of 3-amino-6-bromopyrazine-2-carboxylic acid;4-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine (CID 158004602) is 3-amino-6-bromopyrazine-2-carboxylic acid;4-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine.

What is the SMILES notation for 3-amino-6-bromopyrazine-2-carboxylic acid;4-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?

The canonical SMILES for 3-amino-6-bromopyrazine-2-carboxylic acid;4-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine is Cc1ccsc1-c1nnc(-c2nc(-c3ccc(C(=O)N(C)C)cc3)cnc2N)o1.Cc1ccsc1-c1nnc(-c2nc(-c3ccc(S(=O)(=O)C(C)C)cc3)cnc2N)o1.Nc1ncc(Br)nc1C(=O)O.

What is the InChIKey of 3-amino-6-bromopyrazine-2-carboxylic acid;4-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?

The InChIKey is FEDCQLBCMKHOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2S.C20H19N5O3S2.C5H4BrN3O2/c1-11-8-9-29-16(11)19-25-24-18(28-19)15-17(21)22-10-14(23-15)12-4-6-13(7-5-12)20(27)26(2)3;1-11(2)30(26,27)14-6-4-13(5-7-14)15-10-22-18(21)16(23-15)19-24-25-20(28-19)17-12(3)8-9-29-17;6-2-1-8-4(7)3(9-2)5(10)11/h4-10H,1-3H3,(H2,21,22);4-11H,1-3H3,(H2,21,22);1H,(H2,7,8)(H,10,11).

What are the key properties of 3-amino-6-bromopyrazine-2-carboxylic acid;4-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?

3-amino-6-bromopyrazine-2-carboxylic acid;4-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine has a molecular weight of 1066.02 g/mol, XLogP of 8.03, 10 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-bromopyrazine-2-carboxylic acid;4-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine is sourced from PubChem (CID 158004602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).