(2S)-N-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]piperidine-2-carboxamide;2-[6-(1-ethylpyrazol-4-yl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;N-methyl-1-[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanamine;molecular hydrogen

C64H74N18O8S2 — CID 158486884

About (2S)-N-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]piperidine-2-carboxamide;2-[6-(1-ethylpyrazol-4-yl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;N-methyl-1-[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanamine;molecular hydrogen

(2S)-N-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]piperidine-2-carboxamide;2-[6-(1-ethylpyrazol-4-yl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;N-methyl-1-[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanamine;molecular hydrogen (PubChem CID 158486884) has the molecular formula C64H74N18O8S2 and a molecular weight of 1287.55 g/mol. Its IUPAC name is (2S)-N-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]piperidine-2-carboxamide;2-[6-(1-ethylpyrazol-4-yl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;N-methyl-1-[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanamine;molecular hydrogen.

Molecular Properties

• Compound Name: (2S)-N-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]piperidine-2-carboxamide;2-[6-(1-ethylpyrazol-4-yl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;N-methyl-1-[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanamine;molecular hydrogen
• PubChem CID: 158486884
• Molecular Formula: C64H74N18O8S2
• Molecular Weight: 1287.55 g/mol
• Exact Mass: 1286.54
• IUPAC Name: (2S)-N-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]piperidine-2-carboxamide;2-[6-(1-ethylpyrazol-4-yl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;N-methyl-1-[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanamine;molecular hydrogen
• SMILES: CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(NC(=O)[C@@H]4CCCCN4)o3)n2)cc1.CCn1cc(-c2cnc(C)c(-c3nnc(-c4ccccc4)o3)n2)cn1.CNC(C)c1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3C)o2)cc1.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C25H27N5O3S.C21H25N7O4S.C18H16N6O.3H2/c1-15(2)34(31,32)21-12-10-19(11-13-21)22-14-27-17(4)23(28-22)25-30-29-24(33-25)20-8-6-18(7-9-20)16(3)26-5;1-12(2)33(30,31)14-8-6-13(7-9-14)16-11-24-18(22)17(25-16)20-27-28-21(32-20)26-19(29)15-5-3-4-10-23-15;1-3-24-11-14(9-20-24)15-10-19-12(2)16(21-15)18-23-22-17(25-18)13-7-5-4-6-8-13;;;/h6-16,26H,1-5H3;6-9,11-12,15,23H,3-5,10H2,1-2H3,(H2,22,24)(H,26,28,29);4-11H,3H2,1-2H3;3*1H/t;15-;;;;/m.0..../s1
• InChIKey: HIEZWTVGBNLVFL-MHMZKHSDSA-N
• XLogP: 10.79
• TPSA: 359.38 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 17
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1287.55
LogP ≤ 5	10.79
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]piperidine-2-carboxamide;2-[6-(1-ethylpyrazol-4-yl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;N-methyl-1-[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanamine;molecular hydrogen?

The IUPAC name of (2S)-N-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]piperidine-2-carboxamide;2-[6-(1-ethylpyrazol-4-yl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;N-methyl-1-[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanamine;molecular hydrogen (CID 158486884) is (2S)-N-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]piperidine-2-carboxamide;2-[6-(1-ethylpyrazol-4-yl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;N-methyl-1-[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanamine;molecular hydrogen.

What is the SMILES notation for (2S)-N-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]piperidine-2-carboxamide;2-[6-(1-ethylpyrazol-4-yl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;N-methyl-1-[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanamine;molecular hydrogen?

The canonical SMILES for (2S)-N-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]piperidine-2-carboxamide;2-[6-(1-ethylpyrazol-4-yl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;N-methyl-1-[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanamine;molecular hydrogen is CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(NC(=O)[C@@H]4CCCCN4)o3)n2)cc1.CCn1cc(-c2cnc(C)c(-c3nnc(-c4ccccc4)o3)n2)cn1.CNC(C)c1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3C)o2)cc1.[H][H].[H][H].[H][H].

What is the InChIKey of (2S)-N-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]piperidine-2-carboxamide;2-[6-(1-ethylpyrazol-4-yl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;N-methyl-1-[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanamine;molecular hydrogen?

The InChIKey is HIEZWTVGBNLVFL-MHMZKHSDSA-N. The full InChI is InChI=1S/C25H27N5O3S.C21H25N7O4S.C18H16N6O.3H2/c1-15(2)34(31,32)21-12-10-19(11-13-21)22-14-27-17(4)23(28-22)25-30-29-24(33-25)20-8-6-18(7-9-20)16(3)26-5;1-12(2)33(30,31)14-8-6-13(7-9-14)16-11-24-18(22)17(25-16)20-27-28-21(32-20)26-19(29)15-5-3-4-10-23-15;1-3-24-11-14(9-20-24)15-10-19-12(2)16(21-15)18-23-22-17(25-18)13-7-5-4-6-8-13;;;/h6-16,26H,1-5H3;6-9,11-12,15,23H,3-5,10H2,1-2H3,(H2,22,24)(H,26,28,29);4-11H,3H2,1-2H3;3*1H/t;15-;;;;/m.0..../s1.

What are the key properties of (2S)-N-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]piperidine-2-carboxamide;2-[6-(1-ethylpyrazol-4-yl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;N-methyl-1-[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanamine;molecular hydrogen?

(2S)-N-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]piperidine-2-carboxamide;2-[6-(1-ethylpyrazol-4-yl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;N-methyl-1-[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanamine;molecular hydrogen has a molecular weight of 1287.55 g/mol, XLogP of 10.79, 17 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]piperidine-2-carboxamide;2-[6-(1-ethylpyrazol-4-yl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;N-methyl-1-[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanamine;molecular hydrogen is sourced from PubChem (CID 158486884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).