1-[4-[3-[1-[4-(5-aminopyrazin-2-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-ethyl-N-methylacetamide;5-[4-[1-[5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine

C96H103N31O9S — CID 158315879

About 1-[4-[3-[1-[4-(5-aminopyrazin-2-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-ethyl-N-methylacetamide;5-[4-[1-[5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine

1-[4-[3-[1-[4-(5-aminopyrazin-2-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-ethyl-N-methylacetamide;5-[4-[1-[5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine (PubChem CID 158315879) has the molecular formula C96H103N31O9S and a molecular weight of 1867.15 g/mol. Its IUPAC name is 1-[4-[3-[1-[4-(5-aminopyrazin-2-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-ethyl-N-methylacetamide;5-[4-[1-[5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 1-[4-[3-[1-[4-(5-aminopyrazin-2-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-ethyl-N-methylacetamide;5-[4-[1-[5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
• PubChem CID: 158315879
• Molecular Formula: C96H103N31O9S
• Molecular Weight: 1867.15 g/mol
• Exact Mass: 1865.83
• IUPAC Name: 1-[4-[3-[1-[4-(5-aminopyrazin-2-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-ethyl-N-methylacetamide;5-[4-[1-[5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
• SMILES: CC(C)(O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)cn5)cc4)CCC3)no2)cn1.CCN(C)C(=O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.CN(C)C(=O)Cn1cc(-c2nc(C3(c4ccc(-c5ccc(N)nc5)cc4)CCC3)no2)cn1.CS(=O)(=O)N1CCN(c2cnc(-c3nc(C4(c5ccc(-c6cnc(N)nc6)cc5)CCC4)no3)cn2)CC1
• InChI: InChI=1S/C25H27N9O3S.C24H26N8O2.C24H25N7O2.C23H25N7O2/c1-38(35,36)34-11-9-33(10-12-34)21-16-27-20(15-28-21)22-31-23(32-37-22)25(7-2-8-25)19-5-3-17(4-6-19)18-13-29-24(26)30-14-18;1-3-31(2)20(33)15-32-14-18(13-28-32)21-29-22(30-34-21)24(9-4-10-24)19-7-5-16(6-8-19)17-11-26-23(25)27-12-17;1-30(2)21(32)15-31-14-18(13-27-31)22-28-23(29-33-22)24(10-3-11-24)19-7-4-16(5-8-19)17-6-9-20(25)26-12-17;1-22(2,31)14-30-13-16(10-27-30)20-28-21(29-32-20)23(8-3-9-23)17-6-4-15(5-7-17)18-11-26-19(24)12-25-18/h3-6,13-16H,2,7-12H2,1H3,(H2,26,29,30);5-8,11-14H,3-4,9-10,15H2,1-2H3,(H2,25,26,27);4-9,12-14H,3,10-11,15H2,1-2H3,(H2,25,26);4-7,10-13,31H,3,8-9,14H2,1-2H3,(H2,24,26)
• InChIKey: GOGDUPQLWXPPTJ-UHFFFAOYSA-N
• XLogP: 11.39
• TPSA: 530.70 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 37
• Rotatable Bonds: 25
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1867.15
LogP ≤ 5	11.39
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[1-[4-(5-aminopyrazin-2-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-ethyl-N-methylacetamide;5-[4-[1-[5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

The IUPAC name of 1-[4-[3-[1-[4-(5-aminopyrazin-2-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-ethyl-N-methylacetamide;5-[4-[1-[5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine (CID 158315879) is 1-[4-[3-[1-[4-(5-aminopyrazin-2-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-ethyl-N-methylacetamide;5-[4-[1-[5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine.

What is the SMILES notation for 1-[4-[3-[1-[4-(5-aminopyrazin-2-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-ethyl-N-methylacetamide;5-[4-[1-[5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

The canonical SMILES for 1-[4-[3-[1-[4-(5-aminopyrazin-2-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-ethyl-N-methylacetamide;5-[4-[1-[5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine is CC(C)(O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)cn5)cc4)CCC3)no2)cn1.CCN(C)C(=O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.CN(C)C(=O)Cn1cc(-c2nc(C3(c4ccc(-c5ccc(N)nc5)cc4)CCC3)no2)cn1.CS(=O)(=O)N1CCN(c2cnc(-c3nc(C4(c5ccc(-c6cnc(N)nc6)cc5)CCC4)no3)cn2)CC1.

What is the InChIKey of 1-[4-[3-[1-[4-(5-aminopyrazin-2-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-ethyl-N-methylacetamide;5-[4-[1-[5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

The InChIKey is GOGDUPQLWXPPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N9O3S.C24H26N8O2.C24H25N7O2.C23H25N7O2/c1-38(35,36)34-11-9-33(10-12-34)21-16-27-20(15-28-21)22-31-23(32-37-22)25(7-2-8-25)19-5-3-17(4-6-19)18-13-29-24(26)30-14-18;1-3-31(2)20(33)15-32-14-18(13-28-32)21-29-22(30-34-21)24(9-4-10-24)19-7-5-16(6-8-19)17-11-26-23(25)27-12-17;1-30(2)21(32)15-31-14-18(13-27-31)22-28-23(29-33-22)24(10-3-11-24)19-7-4-16(5-8-19)17-6-9-20(25)26-12-17;1-22(2,31)14-30-13-16(10-27-30)20-28-21(29-32-20)23(8-3-9-23)17-6-4-15(5-7-17)18-11-26-19(24)12-25-18/h3-6,13-16H,2,7-12H2,1H3,(H2,26,29,30);5-8,11-14H,3-4,9-10,15H2,1-2H3,(H2,25,26,27);4-9,12-14H,3,10-11,15H2,1-2H3,(H2,25,26);4-7,10-13,31H,3,8-9,14H2,1-2H3,(H2,24,26).

What are the key properties of 1-[4-[3-[1-[4-(5-aminopyrazin-2-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-ethyl-N-methylacetamide;5-[4-[1-[5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

1-[4-[3-[1-[4-(5-aminopyrazin-2-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-ethyl-N-methylacetamide;5-[4-[1-[5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine has a molecular weight of 1867.15 g/mol, XLogP of 11.39, 25 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[3-[1-[4-(5-aminopyrazin-2-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-ethyl-N-methylacetamide;5-[4-[1-[5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 158315879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).