1-[[6-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]amino]-2-methylpropan-2-ol;2-[[6-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]-methylamino]ethanol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[1-[5-(2-piperidin-4-yl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine

C93H97N31O7S — CID 158652750

About 1-[[6-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]amino]-2-methylpropan-2-ol;2-[[6-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]-methylamino]ethanol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[1-[5-(2-piperidin-4-yl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine

1-[[6-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]amino]-2-methylpropan-2-ol;2-[[6-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]-methylamino]ethanol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[1-[5-(2-piperidin-4-yl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine (PubChem CID 158652750) has the molecular formula C93H97N31O7S and a molecular weight of 1793.08 g/mol. Its IUPAC name is 1-[[6-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]amino]-2-methylpropan-2-ol;2-[[6-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]-methylamino]ethanol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[1-[5-(2-piperidin-4-yl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 1-[[6-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]amino]-2-methylpropan-2-ol;2-[[6-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]-methylamino]ethanol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[1-[5-(2-piperidin-4-yl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
• PubChem CID: 158652750
• Molecular Formula: C93H97N31O7S
• Molecular Weight: 1793.08 g/mol
• Exact Mass: 1791.79
• IUPAC Name: 1-[[6-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]amino]-2-methylpropan-2-ol;2-[[6-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]-methylamino]ethanol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[1-[5-(2-piperidin-4-yl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
• SMILES: CC(C)(O)CNc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)nn1.CN(C)C(=O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CC3)no2)cn1.CN(CCO)c1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)nn1.Nc1ncc(-c2ccc(C3(c4noc(-c5csc(C6CCNCC6)n5)n4)CCC3)cc2)cn1
• InChI: InChI=1S/C24H26N8O2.C24H25N7OS.C23H24N8O2.C22H22N8O2/c1-23(2,33)14-28-19-9-8-18(30-31-19)20-29-21(32-34-20)24(10-3-11-24)17-6-4-15(5-7-17)16-12-26-22(25)27-13-16;25-23-27-12-17(13-28-23)15-2-4-18(5-3-15)24(8-1-9-24)22-30-20(32-31-22)19-14-33-21(29-19)16-6-10-26-11-7-16;1-31(11-12-32)19-8-7-18(28-29-19)20-27-21(30-33-20)23(9-2-10-23)17-5-3-15(4-6-17)16-13-25-22(24)26-14-16;1-29(2)18(31)13-30-12-16(11-26-30)19-27-20(28-32-19)22(7-8-22)17-5-3-14(4-6-17)15-9-24-21(23)25-10-15/h4-9,12-13,33H,3,10-11,14H2,1-2H3,(H,28,31)(H2,25,26,27);2-5,12-14,16,26H,1,6-11H2,(H2,25,27,28);3-8,13-14,32H,2,9-12H2,1H3,(H2,24,25,26);3-6,9-12H,7-8,13H2,1-2H3,(H2,23,24,25)
• InChIKey: IBTFWSHUYZSLJX-UHFFFAOYSA-N
• XLogP: 11.99
• TPSA: 533.22 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 38
• Rotatable Bonds: 25
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1793.08
LogP ≤ 5	11.99
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 1-[[6-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]amino]-2-methylpropan-2-ol;2-[[6-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]-methylamino]ethanol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[1-[5-(2-piperidin-4-yl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

The IUPAC name of 1-[[6-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]amino]-2-methylpropan-2-ol;2-[[6-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]-methylamino]ethanol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[1-[5-(2-piperidin-4-yl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine (CID 158652750) is 1-[[6-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]amino]-2-methylpropan-2-ol;2-[[6-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]-methylamino]ethanol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[1-[5-(2-piperidin-4-yl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine.

What is the SMILES notation for 1-[[6-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]amino]-2-methylpropan-2-ol;2-[[6-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]-methylamino]ethanol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[1-[5-(2-piperidin-4-yl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

The canonical SMILES for 1-[[6-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]amino]-2-methylpropan-2-ol;2-[[6-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]-methylamino]ethanol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[1-[5-(2-piperidin-4-yl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine is CC(C)(O)CNc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)nn1.CN(C)C(=O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CC3)no2)cn1.CN(CCO)c1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)nn1.Nc1ncc(-c2ccc(C3(c4noc(-c5csc(C6CCNCC6)n5)n4)CCC3)cc2)cn1.

What is the InChIKey of 1-[[6-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]amino]-2-methylpropan-2-ol;2-[[6-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]-methylamino]ethanol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[1-[5-(2-piperidin-4-yl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

The InChIKey is IBTFWSHUYZSLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O2.C24H25N7OS.C23H24N8O2.C22H22N8O2/c1-23(2,33)14-28-19-9-8-18(30-31-19)20-29-21(32-34-20)24(10-3-11-24)17-6-4-15(5-7-17)16-12-26-22(25)27-13-16;25-23-27-12-17(13-28-23)15-2-4-18(5-3-15)24(8-1-9-24)22-30-20(32-31-22)19-14-33-21(29-19)16-6-10-26-11-7-16;1-31(11-12-32)19-8-7-18(28-29-19)20-27-21(30-33-20)23(9-2-10-23)17-5-3-15(4-6-17)16-13-25-22(24)26-14-16;1-29(2)18(31)13-30-12-16(11-26-30)19-27-20(28-32-19)22(7-8-22)17-5-3-14(4-6-17)15-9-24-21(23)25-10-15/h4-9,12-13,33H,3,10-11,14H2,1-2H3,(H,28,31)(H2,25,26,27);2-5,12-14,16,26H,1,6-11H2,(H2,25,27,28);3-8,13-14,32H,2,9-12H2,1H3,(H2,24,25,26);3-6,9-12H,7-8,13H2,1-2H3,(H2,23,24,25).

What are the key properties of 1-[[6-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]amino]-2-methylpropan-2-ol;2-[[6-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]-methylamino]ethanol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[1-[5-(2-piperidin-4-yl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

1-[[6-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]amino]-2-methylpropan-2-ol;2-[[6-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]-methylamino]ethanol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[1-[5-(2-piperidin-4-yl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine has a molecular weight of 1793.08 g/mol, XLogP of 11.99, 25 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[6-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]amino]-2-methylpropan-2-ol;2-[[6-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]-methylamino]ethanol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[1-[5-(2-piperidin-4-yl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 158652750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).