3-amino-6-bromopyrazine-2-carboxylic acid;5-[4-[1-(dimethylamino)propan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine

C49H45BrF2N14O8S2 — CID 157480098

About 3-amino-6-bromopyrazine-2-carboxylic acid;5-[4-[1-(dimethylamino)propan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine

3-amino-6-bromopyrazine-2-carboxylic acid;5-[4-[1-(dimethylamino)propan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine (PubChem CID 157480098) has the molecular formula C49H45BrF2N14O8S2 and a molecular weight of 1140.02 g/mol. Its IUPAC name is 3-amino-6-bromopyrazine-2-carboxylic acid;5-[4-[1-(dimethylamino)propan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;3-[5-(2-fluorophenyl)-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;5-[4-[1-(dimethylamino)propan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
• PubChem CID: 157480098
• Molecular Formula: C49H45BrF2N14O8S2
• Molecular Weight: 1140.02 g/mol
• Exact Mass: 1138.21
• IUPAC Name: 3-amino-6-bromopyrazine-2-carboxylic acid;5-[4-[1-(dimethylamino)propan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
• SMILES: CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccccc4F)o3)n2)cc1.CC(CN(C)C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccccc4F)o3)n2)cc1.Nc1ncc(Br)nc1C(=O)O
• InChI: InChI=1S/C23H23FN6O3S.C21H18FN5O3S.C5H4BrN3O2/c1-14(13-30(2)3)34(31,32)16-10-8-15(9-11-16)19-12-26-21(25)20(27-19)23-29-28-22(33-23)17-6-4-5-7-18(17)24;1-12(2)31(28,29)14-9-7-13(8-10-14)17-11-24-19(23)18(25-17)21-27-26-20(30-21)15-5-3-4-6-16(15)22;6-2-1-8-4(7)3(9-2)5(10)11/h4-12,14H,13H2,1-3H3,(H2,25,26);3-12H,1-2H3,(H2,23,24);1H,(H2,7,8)(H,10,11)
• InChIKey: BWBHPYAMNQKBBT-UHFFFAOYSA-N
• XLogP: 7.59
• TPSA: 342.06 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 13
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1140.02
LogP ≤ 5	7.59
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;5-[4-[1-(dimethylamino)propan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;3-[5-(2-fluorophenyl)-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;5-[4-[1-(dimethylamino)propan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine (CID 157480098) is 3-amino-6-bromopyrazine-2-carboxylic acid;5-[4-[1-(dimethylamino)propan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;3-[5-(2-fluorophenyl)-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;5-[4-[1-(dimethylamino)propan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;3-[5-(2-fluorophenyl)-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;5-[4-[1-(dimethylamino)propan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine is CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccccc4F)o3)n2)cc1.CC(CN(C)C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccccc4F)o3)n2)cc1.Nc1ncc(Br)nc1C(=O)O.

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

The InChIKey is BWBHPYAMNQKBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O3S.C21H18FN5O3S.C5H4BrN3O2/c1-14(13-30(2)3)34(31,32)16-10-8-15(9-11-16)19-12-26-21(25)20(27-19)23-29-28-22(33-23)17-6-4-5-7-18(17)24;1-12(2)31(28,29)14-9-7-13(8-10-14)17-11-24-19(23)18(25-17)21-27-26-20(30-21)15-5-3-4-6-16(15)22;6-2-1-8-4(7)3(9-2)5(10)11/h4-12,14H,13H2,1-3H3,(H2,25,26);3-12H,1-2H3,(H2,23,24);1H,(H2,7,8)(H,10,11).

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

3-amino-6-bromopyrazine-2-carboxylic acid;5-[4-[1-(dimethylamino)propan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine has a molecular weight of 1140.02 g/mol, XLogP of 7.59, 13 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;5-[4-[1-(dimethylamino)propan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine is sourced from PubChem (CID 157480098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).