2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-cyclopropyl-N-methylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;5-[3-methyl-4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;N-methyl-5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine

C114H114F3N39O7 — CID 161302768

About 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-cyclopropyl-N-methylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;5-[3-methyl-4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;N-methyl-5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine

2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-cyclopropyl-N-methylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;5-[3-methyl-4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;N-methyl-5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine (PubChem CID 161302768) has the molecular formula C114H114F3N39O7 and a molecular weight of 2199.43 g/mol. Its IUPAC name is 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-cyclopropyl-N-methylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;5-[3-methyl-4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;N-methyl-5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;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: 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-cyclopropyl-N-methylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;5-[3-methyl-4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;N-methyl-5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
• PubChem CID: 161302768
• Molecular Formula: C114H114F3N39O7
• Molecular Weight: 2199.43 g/mol
• Exact Mass: 2197.97
• IUPAC Name: 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-cyclopropyl-N-methylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;5-[3-methyl-4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;N-methyl-5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
• SMILES: CN(C(=O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1)C1CC1.CNc1ncc(-c2ccc(C3(c4noc(-c5cnn(C)c5)n4)CCC3)cc2)cn1.Cc1cc(-c2cnc(N)nc2)ccc1C1(c2noc(-c3cnn(C)c3)n2)CCC1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnc(N6CCNCC6)cn5)n4)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnn(CC(=O)NCC(F)(F)F)c5)n4)CCC3)cc2)cn1
• InChI: InChI=1S/C25H26N8O2.C24H25N9O.C23H21F3N8O2.2C21H21N7O/c1-32(20-7-8-20)21(34)15-33-14-18(13-29-33)22-30-23(31-35-22)25(9-2-10-25)19-5-3-16(4-6-19)17-11-27-24(26)28-12-17;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;24-23(25,26)13-30-18(35)12-34-11-16(10-31-34)19-32-20(33-36-19)22(6-1-7-22)17-4-2-14(3-5-17)15-8-28-21(27)29-9-15;1-22-20-23-10-15(11-24-20)14-4-6-17(7-5-14)21(8-3-9-21)19-26-18(29-27-19)16-12-25-28(2)13-16;1-13-8-14(15-9-23-20(22)24-10-15)4-5-17(13)21(6-3-7-21)19-26-18(29-27-19)16-11-25-28(2)12-16/h3-6,11-14,20H,2,7-10,15H2,1H3,(H2,26,27,28);2-5,12-15,26H,1,6-11H2,(H2,25,29,30);2-5,8-11H,1,6-7,12-13H2,(H,30,35)(H2,27,28,29);4-7,10-13H,3,8-9H2,1-2H3,(H,22,23,24);4-5,8-12H,3,6-7H2,1-2H3,(H2,22,23,24)
• InChIKey: VHVLWSHGOANVLP-UHFFFAOYSA-N
• XLogP: 15.36
• TPSA: 601.35 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 44
• Rotatable Bonds: 28
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2199.43
LogP ≤ 5	15.36
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-cyclopropyl-N-methylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;5-[3-methyl-4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;N-methyl-5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;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 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-cyclopropyl-N-methylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;5-[3-methyl-4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;N-methyl-5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine (CID 161302768) is 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-cyclopropyl-N-methylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;5-[3-methyl-4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;N-methyl-5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;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 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-cyclopropyl-N-methylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;5-[3-methyl-4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;N-methyl-5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;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 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-cyclopropyl-N-methylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;5-[3-methyl-4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;N-methyl-5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine is CN(C(=O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1)C1CC1.CNc1ncc(-c2ccc(C3(c4noc(-c5cnn(C)c5)n4)CCC3)cc2)cn1.Cc1cc(-c2cnc(N)nc2)ccc1C1(c2noc(-c3cnn(C)c3)n2)CCC1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnc(N6CCNCC6)cn5)n4)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnn(CC(=O)NCC(F)(F)F)c5)n4)CCC3)cc2)cn1.

What is the InChIKey of 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-cyclopropyl-N-methylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;5-[3-methyl-4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;N-methyl-5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

The InChIKey is VHVLWSHGOANVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8O2.C24H25N9O.C23H21F3N8O2.2C21H21N7O/c1-32(20-7-8-20)21(34)15-33-14-18(13-29-33)22-30-23(31-35-22)25(9-2-10-25)19-5-3-16(4-6-19)17-11-27-24(26)28-12-17;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;24-23(25,26)13-30-18(35)12-34-11-16(10-31-34)19-32-20(33-36-19)22(6-1-7-22)17-4-2-14(3-5-17)15-8-28-21(27)29-9-15;1-22-20-23-10-15(11-24-20)14-4-6-17(7-5-14)21(8-3-9-21)19-26-18(29-27-19)16-12-25-28(2)13-16;1-13-8-14(15-9-23-20(22)24-10-15)4-5-17(13)21(6-3-7-21)19-26-18(29-27-19)16-11-25-28(2)12-16/h3-6,11-14,20H,2,7-10,15H2,1H3,(H2,26,27,28);2-5,12-15,26H,1,6-11H2,(H2,25,29,30);2-5,8-11H,1,6-7,12-13H2,(H,30,35)(H2,27,28,29);4-7,10-13H,3,8-9H2,1-2H3,(H,22,23,24);4-5,8-12H,3,6-7H2,1-2H3,(H2,22,23,24).

What are the key properties of 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-cyclopropyl-N-methylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;5-[3-methyl-4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;N-methyl-5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-cyclopropyl-N-methylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;5-[3-methyl-4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;N-methyl-5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;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 2199.43 g/mol, XLogP of 15.36, 28 rotatable bonds, 7 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-cyclopropyl-N-methylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;5-[3-methyl-4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;N-methyl-5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;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 161302768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).