3-amino-6-bromopyrazine-2-carboxylic acid;2-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-(1,4-diazepane-1-carbonyl)benzonitrile;5-bromo-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine

C38H30Br2N16O5S2 — CID 159972860

About 3-amino-6-bromopyrazine-2-carboxylic acid;2-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-(1,4-diazepane-1-carbonyl)benzonitrile;5-bromo-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine

3-amino-6-bromopyrazine-2-carboxylic acid;2-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-(1,4-diazepane-1-carbonyl)benzonitrile;5-bromo-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine (PubChem CID 159972860) has the molecular formula C38H30Br2N16O5S2 and a molecular weight of 1014.71 g/mol. Its IUPAC name is 3-amino-6-bromopyrazine-2-carboxylic acid;2-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-(1,4-diazepane-1-carbonyl)benzonitrile;5-bromo-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine.

Molecular Properties

• Compound Name: 3-amino-6-bromopyrazine-2-carboxylic acid;2-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-(1,4-diazepane-1-carbonyl)benzonitrile;5-bromo-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine
• PubChem CID: 159972860
• Molecular Formula: C38H30Br2N16O5S2
• Molecular Weight: 1014.71 g/mol
• Exact Mass: 1012.04
• IUPAC Name: 3-amino-6-bromopyrazine-2-carboxylic acid;2-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-(1,4-diazepane-1-carbonyl)benzonitrile;5-bromo-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine
• SMILES: N#Cc1cc(C(=O)N2CCCNCC2)ccc1-c1cnc(N)c(-c2nnc(-c3cccs3)o2)n1.Nc1ncc(Br)nc1-c1nnc(-c2cccs2)o1.Nc1ncc(Br)nc1C(=O)O
• InChI: InChI=1S/C23H20N8O2S.C10H6BrN5OS.C5H4BrN3O2/c24-12-15-11-14(23(32)31-8-2-6-26-7-9-31)4-5-16(15)17-13-27-20(25)19(28-17)22-30-29-21(33-22)18-3-1-10-34-18;11-6-4-13-8(12)7(14-6)10-16-15-9(17-10)5-2-1-3-18-5;6-2-1-8-4(7)3(9-2)5(10)11/h1,3-5,10-11,13,26H,2,6-9H2,(H2,25,27);1-4H,(H2,12,13);1H,(H2,7,8)(H,10,11)
• InChIKey: OETWHBDQIQWPKG-UHFFFAOYSA-N
• XLogP: 5.93
• TPSA: 326.67 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 7
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1014.71
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-bromopyrazine-2-carboxylic acid;2-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-(1,4-diazepane-1-carbonyl)benzonitrile;5-bromo-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine?

The IUPAC name of 3-amino-6-bromopyrazine-2-carboxylic acid;2-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-(1,4-diazepane-1-carbonyl)benzonitrile;5-bromo-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine (CID 159972860) is 3-amino-6-bromopyrazine-2-carboxylic acid;2-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-(1,4-diazepane-1-carbonyl)benzonitrile;5-bromo-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine.

What is the SMILES notation for 3-amino-6-bromopyrazine-2-carboxylic acid;2-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-(1,4-diazepane-1-carbonyl)benzonitrile;5-bromo-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine?

The canonical SMILES for 3-amino-6-bromopyrazine-2-carboxylic acid;2-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-(1,4-diazepane-1-carbonyl)benzonitrile;5-bromo-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine is N#Cc1cc(C(=O)N2CCCNCC2)ccc1-c1cnc(N)c(-c2nnc(-c3cccs3)o2)n1.Nc1ncc(Br)nc1-c1nnc(-c2cccs2)o1.Nc1ncc(Br)nc1C(=O)O.

What is the InChIKey of 3-amino-6-bromopyrazine-2-carboxylic acid;2-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-(1,4-diazepane-1-carbonyl)benzonitrile;5-bromo-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine?

The InChIKey is OETWHBDQIQWPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N8O2S.C10H6BrN5OS.C5H4BrN3O2/c24-12-15-11-14(23(32)31-8-2-6-26-7-9-31)4-5-16(15)17-13-27-20(25)19(28-17)22-30-29-21(33-22)18-3-1-10-34-18;11-6-4-13-8(12)7(14-6)10-16-15-9(17-10)5-2-1-3-18-5;6-2-1-8-4(7)3(9-2)5(10)11/h1,3-5,10-11,13,26H,2,6-9H2,(H2,25,27);1-4H,(H2,12,13);1H,(H2,7,8)(H,10,11).

What are the key properties of 3-amino-6-bromopyrazine-2-carboxylic acid;2-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-(1,4-diazepane-1-carbonyl)benzonitrile;5-bromo-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine?

3-amino-6-bromopyrazine-2-carboxylic acid;2-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-(1,4-diazepane-1-carbonyl)benzonitrile;5-bromo-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine has a molecular weight of 1014.71 g/mol, XLogP of 5.93, 7 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-bromopyrazine-2-carboxylic acid;2-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-(1,4-diazepane-1-carbonyl)benzonitrile;5-bromo-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine is sourced from PubChem (CID 159972860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).