(3-aminopiperidin-1-yl)-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]methanone;2-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]aniline;N'-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]propane-1,3-diamine;molecular hydrogen

C64H92N18O8S2 — CID 158602469

About (3-aminopiperidin-1-yl)-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]methanone;2-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]aniline;N'-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]propane-1,3-diamine;molecular hydrogen

(3-aminopiperidin-1-yl)-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]methanone;2-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]aniline;N'-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]propane-1,3-diamine;molecular hydrogen (PubChem CID 158602469) has the molecular formula C64H92N18O8S2 and a molecular weight of 1305.69 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]methanone;2-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]aniline;N'-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]propane-1,3-diamine;molecular hydrogen.

Molecular Properties

• Compound Name: (3-aminopiperidin-1-yl)-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]methanone;2-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]aniline;N'-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]propane-1,3-diamine;molecular hydrogen
• PubChem CID: 158602469
• Molecular Formula: C64H92N18O8S2
• Molecular Weight: 1305.69 g/mol
• Exact Mass: 1304.68
• IUPAC Name: (3-aminopiperidin-1-yl)-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]methanone;2-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]aniline;N'-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]propane-1,3-diamine;molecular hydrogen
• SMILES: C=C(c1ccc(-c2cnc(C)c(-c3nnc(-c4ccccc4N)o3)n2)cc1)N(C)C.Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1-c1nnc(C(=O)N2CCCC(N)C2)o1.Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1-c1nnc(NCCCN)o1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C23H22N6O.C22H26N6O4S.C19H24N6O3S.10H2/c1-14-21(23-28-27-22(30-23)18-7-5-6-8-19(18)24)26-20(13-25-14)17-11-9-16(10-12-17)15(2)29(3)4;1-13(2)33(30,31)17-8-6-15(7-9-17)18-11-24-14(3)19(25-18)20-26-27-21(32-20)22(29)28-10-4-5-16(23)12-28;1-12(2)29(26,27)15-7-5-14(6-8-15)16-11-22-13(3)17(23-16)18-24-25-19(28-18)21-10-4-9-20;;;;;;;;;;/h5-13H,2,24H2,1,3-4H3;6-9,11,13,16H,4-5,10,12,23H2,1-3H3;5-8,11-12H,4,9-10,20H2,1-3H3,(H,21,25);10*1H
• InChIKey: HVUSGPIWWNBQTB-UHFFFAOYSA-N
• XLogP: 11.44
• TPSA: 376.02 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 18
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1305.69
LogP ≤ 5	11.44
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]methanone;2-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]aniline;N'-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]propane-1,3-diamine;molecular hydrogen?

The IUPAC name of (3-aminopiperidin-1-yl)-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]methanone;2-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]aniline;N'-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]propane-1,3-diamine;molecular hydrogen (CID 158602469) is (3-aminopiperidin-1-yl)-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]methanone;2-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]aniline;N'-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]propane-1,3-diamine;molecular hydrogen.

What is the SMILES notation for (3-aminopiperidin-1-yl)-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]methanone;2-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]aniline;N'-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]propane-1,3-diamine;molecular hydrogen?

The canonical SMILES for (3-aminopiperidin-1-yl)-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]methanone;2-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]aniline;N'-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]propane-1,3-diamine;molecular hydrogen is C=C(c1ccc(-c2cnc(C)c(-c3nnc(-c4ccccc4N)o3)n2)cc1)N(C)C.Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1-c1nnc(C(=O)N2CCCC(N)C2)o1.Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1-c1nnc(NCCCN)o1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of (3-aminopiperidin-1-yl)-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]methanone;2-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]aniline;N'-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]propane-1,3-diamine;molecular hydrogen?

The InChIKey is HVUSGPIWWNBQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O.C22H26N6O4S.C19H24N6O3S.10H2/c1-14-21(23-28-27-22(30-23)18-7-5-6-8-19(18)24)26-20(13-25-14)17-11-9-16(10-12-17)15(2)29(3)4;1-13(2)33(30,31)17-8-6-15(7-9-17)18-11-24-14(3)19(25-18)20-26-27-21(32-20)22(29)28-10-4-5-16(23)12-28;1-12(2)29(26,27)15-7-5-14(6-8-15)16-11-22-13(3)17(23-16)18-24-25-19(28-18)21-10-4-9-20;;;;;;;;;;/h5-13H,2,24H2,1,3-4H3;6-9,11,13,16H,4-5,10,12,23H2,1-3H3;5-8,11-12H,4,9-10,20H2,1-3H3,(H,21,25);10*1H.

What are the key properties of (3-aminopiperidin-1-yl)-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]methanone;2-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]aniline;N'-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]propane-1,3-diamine;molecular hydrogen?

(3-aminopiperidin-1-yl)-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]methanone;2-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]aniline;N'-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]propane-1,3-diamine;molecular hydrogen has a molecular weight of 1305.69 g/mol, XLogP of 11.44, 18 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (3-aminopiperidin-1-yl)-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]methanone;2-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]aniline;N'-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]propane-1,3-diamine;molecular hydrogen is sourced from PubChem (CID 158602469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).