4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-methylpyrazole-1-carboxamide;2-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]-methylamino]ethanol;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone;5-[4-[1-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine

C121H119F2N39O10 — CID 160781072

About 4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-methylpyrazole-1-carboxamide;2-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]-methylamino]ethanol;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone;5-[4-[1-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine

4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-methylpyrazole-1-carboxamide;2-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]-methylamino]ethanol;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone;5-[4-[1-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine (PubChem CID 160781072) has the molecular formula C121H119F2N39O10 and a molecular weight of 2317.54 g/mol. Its IUPAC name is 4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-methylpyrazole-1-carboxamide;2-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]-methylamino]ethanol;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone;5-[4-[1-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-methylpyrazole-1-carboxamide;2-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]-methylamino]ethanol;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone;5-[4-[1-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
• PubChem CID: 160781072
• Molecular Formula: C121H119F2N39O10
• Molecular Weight: 2317.54 g/mol
• Exact Mass: 2316.00
• IUPAC Name: 4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-methylpyrazole-1-carboxamide;2-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]-methylamino]ethanol;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone;5-[4-[1-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
• SMILES: CN(CCO)c1cnc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.CNC(=O)n1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(C(=O)N6CCC(F)(F)CC6)nc5)n4)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(C(=O)N6CCC(O)C6)nc5)n4)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnc(N6CCNCC6)cn5)n4)CCC3)cc2)cn1
• InChI: InChI=1S/C27H25F2N7O2.C26H25N7O3.C24H25N9O.C23H24N8O2.C21H20N8O2/c28-27(29)10-12-36(13-11-27)23(37)21-7-4-18(14-31-21)22-34-24(35-38-22)26(8-1-9-26)20-5-2-17(3-6-20)19-15-32-25(30)33-16-19;27-25-29-13-18(14-30-25)16-2-5-19(6-3-16)26(9-1-10-26)24-31-22(36-32-24)17-4-7-21(28-12-17)23(35)33-11-8-20(34)15-33;25-23-29-12-17(13-30-23)16-2-4-18(5-3-16)24(6-1-7-24)22-31-21(34-32-22)19-14-28-20(15-27-19)33-10-8-26-9-11-33;1-31(9-10-32)19-14-25-18(13-26-19)20-29-21(30-33-20)23(7-2-8-23)17-5-3-15(4-6-17)16-11-27-22(24)28-12-16;1-23-20(30)29-12-15(11-26-29)17-27-18(28-31-17)21(7-2-8-21)16-5-3-13(4-6-16)14-9-24-19(22)25-10-14/h2-7,14-16H,1,8-13H2,(H2,30,32,33);2-7,12-14,20,34H,1,8-11,15H2,(H2,27,29,30);2-5,12-15,26H,1,6-11H2,(H2,25,29,30);3-6,11-14,32H,2,7-10H2,1H3,(H2,24,27,28);3-6,9-12H,2,7-8H2,1H3,(H,23,30)(H2,22,24,25)
• InChIKey: SAOSDLGYBRDODD-UHFFFAOYSA-N
• XLogP: 14.90
• TPSA: 677.45 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 46
• Rotatable Bonds: 26
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2317.54
LogP ≤ 5	14.90
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	46

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-methylpyrazole-1-carboxamide;2-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]-methylamino]ethanol;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone;5-[4-[1-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

The IUPAC name of 4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-methylpyrazole-1-carboxamide;2-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]-methylamino]ethanol;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone;5-[4-[1-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine (CID 160781072) is 4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-methylpyrazole-1-carboxamide;2-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]-methylamino]ethanol;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone;5-[4-[1-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine.

What is the SMILES notation for 4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-methylpyrazole-1-carboxamide;2-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]-methylamino]ethanol;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone;5-[4-[1-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

The canonical SMILES for 4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-methylpyrazole-1-carboxamide;2-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]-methylamino]ethanol;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone;5-[4-[1-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine is CN(CCO)c1cnc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.CNC(=O)n1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(C(=O)N6CCC(F)(F)CC6)nc5)n4)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(C(=O)N6CCC(O)C6)nc5)n4)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnc(N6CCNCC6)cn5)n4)CCC3)cc2)cn1.

What is the InChIKey of 4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-methylpyrazole-1-carboxamide;2-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]-methylamino]ethanol;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone;5-[4-[1-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

The InChIKey is SAOSDLGYBRDODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F2N7O2.C26H25N7O3.C24H25N9O.C23H24N8O2.C21H20N8O2/c28-27(29)10-12-36(13-11-27)23(37)21-7-4-18(14-31-21)22-34-24(35-38-22)26(8-1-9-26)20-5-2-17(3-6-20)19-15-32-25(30)33-16-19;27-25-29-13-18(14-30-25)16-2-5-19(6-3-16)26(9-1-10-26)24-31-22(36-32-24)17-4-7-21(28-12-17)23(35)33-11-8-20(34)15-33;25-23-29-12-17(13-30-23)16-2-4-18(5-3-16)24(6-1-7-24)22-31-21(34-32-22)19-14-28-20(15-27-19)33-10-8-26-9-11-33;1-31(9-10-32)19-14-25-18(13-26-19)20-29-21(30-33-20)23(7-2-8-23)17-5-3-15(4-6-17)16-11-27-22(24)28-12-16;1-23-20(30)29-12-15(11-26-29)17-27-18(28-31-17)21(7-2-8-21)16-5-3-13(4-6-16)14-9-24-19(22)25-10-14/h2-7,14-16H,1,8-13H2,(H2,30,32,33);2-7,12-14,20,34H,1,8-11,15H2,(H2,27,29,30);2-5,12-15,26H,1,6-11H2,(H2,25,29,30);3-6,11-14,32H,2,7-10H2,1H3,(H2,24,27,28);3-6,9-12H,2,7-8H2,1H3,(H,23,30)(H2,22,24,25).

What are the key properties of 4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-methylpyrazole-1-carboxamide;2-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]-methylamino]ethanol;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone;5-[4-[1-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-methylpyrazole-1-carboxamide;2-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]-methylamino]ethanol;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone;5-[4-[1-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine has a molecular weight of 2317.54 g/mol, XLogP of 14.90, 26 rotatable bonds, 9 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N-methylpyrazole-1-carboxamide;2-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]-methylamino]ethanol;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone;5-[4-[1-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 160781072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).