2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-[4-[1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine

C113H110N32O9 — CID 159279634

About 2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-[4-[1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine

2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-[4-[1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine (PubChem CID 159279634) has the molecular formula C113H110N32O9 and a molecular weight of 2060.34 g/mol. Its IUPAC name is 2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-[4-[1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-[4-[1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine
• PubChem CID: 159279634
• Molecular Formula: C113H110N32O9
• Molecular Weight: 2060.34 g/mol
• Exact Mass: 2058.91
• IUPAC Name: 2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-[4-[1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine
• SMILES: CC(C)(O)Cn1cc(-c2nc(C3(c4ccc(-c5ccc(N)nc5)cc4)CCC3)no2)cn1.CN(C)C(=O)Cn1cc(-c2nc(C3(c4ccc(-c5ccc(N)nc5)cc4)CCC3)no2)cn1.Nc1cnc(-c2ccc(C3(c4noc(-c5cnn(C6COC6)c5)n4)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5ccccn5)n4)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cccnc5)n4)CCOCC3)cc2)cn1
• InChI: InChI=1S/C24H25N7O2.C24H26N6O2.C22H21N7O2.C22H20N6O2.C21H18N6O/c1-30(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;1-23(2,31)15-30-14-18(13-27-30)21-28-22(29-32-21)24(10-3-11-24)19-7-4-16(5-8-19)17-6-9-20(25)26-12-17;23-19-10-24-18(9-25-19)14-2-4-16(5-3-14)22(6-1-7-22)21-27-20(31-28-21)15-8-26-29(11-15)17-12-30-13-17;23-21-25-13-17(14-26-21)15-3-5-18(6-4-15)22(7-10-29-11-8-22)20-27-19(30-28-20)16-2-1-9-24-12-16;22-20-24-12-15(13-25-20)14-5-7-16(8-6-14)21(9-3-10-21)19-26-18(28-27-19)17-4-1-2-11-23-17/h4-9,12-14H,3,10-11,15H2,1-2H3,(H2,25,26);4-9,12-14,31H,3,10-11,15H2,1-2H3,(H2,25,26);2-5,8-11,17H,1,6-7,12-13H2,(H2,23,25);1-6,9,12-14H,7-8,10-11H2,(H2,23,25,26);1-2,4-8,11-13H,3,9-10H2,(H2,22,24,25)
• InChIKey: KYTCYXGQOLGKQV-UHFFFAOYSA-N
• XLogP: 16.88
• TPSA: 566.06 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 40
• Rotatable Bonds: 25
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2060.34
LogP ≤ 5	16.88
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

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

The IUPAC name of 2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-[4-[1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine (CID 159279634) is 2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-[4-[1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine.

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

The canonical SMILES for 2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-[4-[1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine is CC(C)(O)Cn1cc(-c2nc(C3(c4ccc(-c5ccc(N)nc5)cc4)CCC3)no2)cn1.CN(C)C(=O)Cn1cc(-c2nc(C3(c4ccc(-c5ccc(N)nc5)cc4)CCC3)no2)cn1.Nc1cnc(-c2ccc(C3(c4noc(-c5cnn(C6COC6)c5)n4)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5ccccn5)n4)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cccnc5)n4)CCOCC3)cc2)cn1.

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

The InChIKey is KYTCYXGQOLGKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2.C24H26N6O2.C22H21N7O2.C22H20N6O2.C21H18N6O/c1-30(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;1-23(2,31)15-30-14-18(13-27-30)21-28-22(29-32-21)24(10-3-11-24)19-7-4-16(5-8-19)17-6-9-20(25)26-12-17;23-19-10-24-18(9-25-19)14-2-4-16(5-3-14)22(6-1-7-22)21-27-20(31-28-21)15-8-26-29(11-15)17-12-30-13-17;23-21-25-13-17(14-26-21)15-3-5-18(6-4-15)22(7-10-29-11-8-22)20-27-19(30-28-20)16-2-1-9-24-12-16;22-20-24-12-15(13-25-20)14-5-7-16(8-6-14)21(9-3-10-21)19-26-18(28-27-19)17-4-1-2-11-23-17/h4-9,12-14H,3,10-11,15H2,1-2H3,(H2,25,26);4-9,12-14,31H,3,10-11,15H2,1-2H3,(H2,25,26);2-5,8-11,17H,1,6-7,12-13H2,(H2,23,25);1-6,9,12-14H,7-8,10-11H2,(H2,23,25,26);1-2,4-8,11-13H,3,9-10H2,(H2,22,24,25).

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

2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-[4-[1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine has a molecular weight of 2060.34 g/mol, XLogP of 16.88, 25 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine;5-[4-[1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 159279634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).