3-[4-[5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]morpholine;2-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-thiadiazole;3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-[4-[(3R)-piperidin-3-yl]sulfonylphenyl]pyrazin-2-amine

C₇₄H₇₅N₁₇O₉S₅ — CID 158873632

About 3-[4-[5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]morpholine;2-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-thiadiazole;3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-[4-[(3R)-piperidin-3-yl]sulfonylphenyl]pyrazin-2-amine

3-[4-[5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]morpholine;2-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-thiadiazole;3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-[4-[(3R)-piperidin-3-yl]sulfonylphenyl]pyrazin-2-amine (PubChem CID 158873632) has the molecular formula C₇₄H₇₅N₁₇O₉S₅ and a molecular weight of 1506.86 g/mol. Its IUPAC name is 3-[4-[5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]morpholine;2-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-thiadiazole;3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-[4-[(3R)-piperidin-3-yl]sulfonylphenyl]pyrazin-2-amine.

Molecular Properties

• Compound Name: 3-[4-[5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]morpholine;2-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-thiadiazole;3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-[4-[(3R)-piperidin-3-yl]sulfonylphenyl]pyrazin-2-amine
• PubChem CID: 158873632
• Molecular Formula: C₇₄H₇₅N₁₇O₉S₅
• Molecular Weight: 1506.86 g/mol
• Exact Mass: 1505.45
• IUPAC Name: 3-[4-[5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]morpholine;2-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-thiadiazole;3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-[4-[(3R)-piperidin-3-yl]sulfonylphenyl]pyrazin-2-amine
• SMILES: Cc1ccsc1-c1nnc(-c2nc(-c3ccc(S(=O)(=O)[C@@H]4CCCNC4)cc3)cnc2N)o1.Cc1ncc(-c2ccc(S(=O)(=O)C3CCCNC3)cc2)nc1-c1nnc(-c2ccc(C3COCCN3)cc2)o1.Cc1ncc(-c2ccc(S(=O)(=O)C3CCCNC3)cc2)nc1-c1nnc(-c2ccccc2)s1
• InChI: InChI=1S/C28H30N6O4S.C24H23N5O2S2.C22H22N6O3S2/c1-18-26(28-34-33-27(38-28)21-6-4-20(5-7-21)25-17-37-14-13-30-25)32-24(16-31-18)19-8-10-22(11-9-19)39(35,36)23-3-2-12-29-15-23;1-16-22(24-29-28-23(32-24)18-6-3-2-4-7-18)27-21(15-26-16)17-9-11-19(12-10-17)33(30,31)20-8-5-13-25-14-20;1-13-8-10-32-19(13)22-28-27-21(31-22)18-20(23)25-12-17(26-18)14-4-6-15(7-5-14)33(29,30)16-3-2-9-24-11-16/h4-11,16,23,25,29-30H,2-3,12-15,17H2,1H3;2-4,6-7,9-12,15,20,25H,5,8,13-14H2,1H3;4-8,10,12,16,24H,2-3,9,11H2,1H3,(H2,23,25)/t;;16-/m..1/s1
• InChIKey: JCDRVMWSKOHEOV-ZDGYNWQWSA-N
• XLogP: 10.86
• TPSA: 366.75 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 16
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1506.86
LogP ≤ 5	10.86
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]morpholine;2-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-thiadiazole;3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-[4-[(3R)-piperidin-3-yl]sulfonylphenyl]pyrazin-2-amine?

The IUPAC name of 3-[4-[5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]morpholine;2-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-thiadiazole;3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-[4-[(3R)-piperidin-3-yl]sulfonylphenyl]pyrazin-2-amine (CID 158873632) is 3-[4-[5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]morpholine;2-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-thiadiazole;3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-[4-[(3R)-piperidin-3-yl]sulfonylphenyl]pyrazin-2-amine.

What is the SMILES notation for 3-[4-[5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]morpholine;2-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-thiadiazole;3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-[4-[(3R)-piperidin-3-yl]sulfonylphenyl]pyrazin-2-amine?

The canonical SMILES for 3-[4-[5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]morpholine;2-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-thiadiazole;3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-[4-[(3R)-piperidin-3-yl]sulfonylphenyl]pyrazin-2-amine is Cc1ccsc1-c1nnc(-c2nc(-c3ccc(S(=O)(=O)[C@@H]4CCCNC4)cc3)cnc2N)o1.Cc1ncc(-c2ccc(S(=O)(=O)C3CCCNC3)cc2)nc1-c1nnc(-c2ccc(C3COCCN3)cc2)o1.Cc1ncc(-c2ccc(S(=O)(=O)C3CCCNC3)cc2)nc1-c1nnc(-c2ccccc2)s1.

What is the InChIKey of 3-[4-[5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]morpholine;2-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-thiadiazole;3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-[4-[(3R)-piperidin-3-yl]sulfonylphenyl]pyrazin-2-amine?

The InChIKey is JCDRVMWSKOHEOV-ZDGYNWQWSA-N. The full InChI is InChI=1S/C28H30N6O4S.C24H23N5O2S2.C22H22N6O3S2/c1-18-26(28-34-33-27(38-28)21-6-4-20(5-7-21)25-17-37-14-13-30-25)32-24(16-31-18)19-8-10-22(11-9-19)39(35,36)23-3-2-12-29-15-23;1-16-22(24-29-28-23(32-24)18-6-3-2-4-7-18)27-21(15-26-16)17-9-11-19(12-10-17)33(30,31)20-8-5-13-25-14-20;1-13-8-10-32-19(13)22-28-27-21(31-22)18-20(23)25-12-17(26-18)14-4-6-15(7-5-14)33(29,30)16-3-2-9-24-11-16/h4-11,16,23,25,29-30H,2-3,12-15,17H2,1H3;2-4,6-7,9-12,15,20,25H,5,8,13-14H2,1H3;4-8,10,12,16,24H,2-3,9,11H2,1H3,(H2,23,25)/t;;16-/m..1/s1.

What are the key properties of 3-[4-[5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]morpholine;2-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-thiadiazole;3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-[4-[(3R)-piperidin-3-yl]sulfonylphenyl]pyrazin-2-amine?

3-[4-[5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]morpholine;2-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-thiadiazole;3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-[4-[(3R)-piperidin-3-yl]sulfonylphenyl]pyrazin-2-amine has a molecular weight of 1506.86 g/mol, XLogP of 10.86, 16 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[5-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]morpholine;2-[3-methyl-6-(4-piperidin-3-ylsulfonylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-thiadiazole;3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-[4-[(3R)-piperidin-3-yl]sulfonylphenyl]pyrazin-2-amine is sourced from PubChem (CID 158873632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158873632 — identifiers, structure, computed properties (public domain)

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