5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-[4-[1-[5-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[6-(3-methylsulfonylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[3-(oxetan-3-yl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine

C94H95N29O9S2 — CID 159716881

About 5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-[4-[1-[5-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[6-(3-methylsulfonylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[3-(oxetan-3-yl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine

5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-[4-[1-[5-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[6-(3-methylsulfonylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[3-(oxetan-3-yl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine (PubChem CID 159716881) has the molecular formula C94H95N29O9S2 and a molecular weight of 1839.12 g/mol. Its IUPAC name is 5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-[4-[1-[5-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[6-(3-methylsulfonylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[3-(oxetan-3-yl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-[4-[1-[5-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[6-(3-methylsulfonylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[3-(oxetan-3-yl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
• PubChem CID: 159716881
• Molecular Formula: C94H95N29O9S2
• Molecular Weight: 1839.12 g/mol
• Exact Mass: 1837.73
• IUPAC Name: 5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-[4-[1-[5-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[6-(3-methylsulfonylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[3-(oxetan-3-yl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
• SMILES: CS(=O)(=O)C1CCN(c2ccc(-c3nc(C4(c5ccc(-c6cnc(N)nc6)cc5)CCC4)no3)cn2)C1.CS(=O)(=O)N1CCN(c2ccc(-c3nc(C4(c5ccc(-c6cnc(N)nc6)cc5)CCC4)no3)cn2)CC1.Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)cn5)cc4)CCC3)no2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cncn5C5COC5)n4)CCC3)cc2)cn1
• InChI: InChI=1S/C26H28N8O3S.C26H27N7O3S.C22H21N7O2.C20H19N7O/c1-38(35,36)34-13-11-33(12-14-34)22-8-5-19(15-28-22)23-31-24(32-37-23)26(9-2-10-26)21-6-3-18(4-7-21)20-16-29-25(27)30-17-20;1-37(34,35)21-9-12-33(16-21)22-8-5-18(13-28-22)23-31-24(32-36-23)26(10-2-11-26)20-6-3-17(4-7-20)19-14-29-25(27)30-15-19;23-21-25-8-15(9-26-21)14-2-4-16(5-3-14)22(6-1-7-22)20-27-19(31-28-20)18-10-24-13-29(18)17-11-30-12-17;1-27-12-14(9-24-27)18-25-19(26-28-18)20(7-2-8-20)15-5-3-13(4-6-15)16-10-23-17(21)11-22-16/h3-8,15-17H,2,9-14H2,1H3,(H2,27,29,30);3-8,13-15,21H,2,9-12,16H2,1H3,(H2,27,29,30);2-5,8-10,13,17H,1,6-7,11-12H2,(H2,23,25,26);3-6,9-12H,2,7-8H2,1H3,(H2,21,23)
• InChIKey: MZNTYVAWLCOTJJ-UHFFFAOYSA-N
• XLogP: 11.98
• TPSA: 511.53 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 37
• Rotatable Bonds: 21
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1839.12
LogP ≤ 5	11.98
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-[4-[1-[5-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[6-(3-methylsulfonylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[3-(oxetan-3-yl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

The IUPAC name of 5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-[4-[1-[5-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[6-(3-methylsulfonylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[3-(oxetan-3-yl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine (CID 159716881) is 5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-[4-[1-[5-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[6-(3-methylsulfonylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[3-(oxetan-3-yl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine.

What is the SMILES notation for 5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-[4-[1-[5-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[6-(3-methylsulfonylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[3-(oxetan-3-yl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

The canonical SMILES for 5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-[4-[1-[5-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[6-(3-methylsulfonylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[3-(oxetan-3-yl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine is CS(=O)(=O)C1CCN(c2ccc(-c3nc(C4(c5ccc(-c6cnc(N)nc6)cc5)CCC4)no3)cn2)C1.CS(=O)(=O)N1CCN(c2ccc(-c3nc(C4(c5ccc(-c6cnc(N)nc6)cc5)CCC4)no3)cn2)CC1.Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)cn5)cc4)CCC3)no2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cncn5C5COC5)n4)CCC3)cc2)cn1.

What is the InChIKey of 5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-[4-[1-[5-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[6-(3-methylsulfonylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[3-(oxetan-3-yl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

The InChIKey is MZNTYVAWLCOTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8O3S.C26H27N7O3S.C22H21N7O2.C20H19N7O/c1-38(35,36)34-13-11-33(12-14-34)22-8-5-19(15-28-22)23-31-24(32-37-23)26(9-2-10-26)21-6-3-18(4-7-21)20-16-29-25(27)30-17-20;1-37(34,35)21-9-12-33(16-21)22-8-5-18(13-28-22)23-31-24(32-36-23)26(10-2-11-26)20-6-3-17(4-7-20)19-14-29-25(27)30-15-19;23-21-25-8-15(9-26-21)14-2-4-16(5-3-14)22(6-1-7-22)20-27-19(31-28-20)18-10-24-13-29(18)17-11-30-12-17;1-27-12-14(9-24-27)18-25-19(26-28-18)20(7-2-8-20)15-5-3-13(4-6-15)16-10-23-17(21)11-22-16/h3-8,15-17H,2,9-14H2,1H3,(H2,27,29,30);3-8,13-15,21H,2,9-12,16H2,1H3,(H2,27,29,30);2-5,8-10,13,17H,1,6-7,11-12H2,(H2,23,25,26);3-6,9-12H,2,7-8H2,1H3,(H2,21,23).

What are the key properties of 5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-[4-[1-[5-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[6-(3-methylsulfonylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[3-(oxetan-3-yl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-[4-[1-[5-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[6-(3-methylsulfonylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[3-(oxetan-3-yl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine has a molecular weight of 1839.12 g/mol, XLogP of 11.98, 21 rotatable bonds, 4 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-[4-[1-[5-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[6-(3-methylsulfonylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[3-(oxetan-3-yl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 159716881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).