4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N,N-diethylpyrazole-1-carboxamide;3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-1H-pyridin-2-one;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-methoxypyrrolidin-1-yl)ethanone;[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-morpholin-4-ylmethanone;5-[4-[1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine

C117H119N37O11 — CID 161228513

About 4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N,N-diethylpyrazole-1-carboxamide;3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-1H-pyridin-2-one;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-methoxypyrrolidin-1-yl)ethanone;[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-morpholin-4-ylmethanone;5-[4-[1-[5-(2-methylpyrazol-3-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,N-diethylpyrazole-1-carboxamide;3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-1H-pyridin-2-one;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-methoxypyrrolidin-1-yl)ethanone;[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-morpholin-4-ylmethanone;5-[4-[1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine (PubChem CID 161228513) has the molecular formula C117H119N37O11 and a molecular weight of 2219.49 g/mol. Its IUPAC name is 4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N,N-diethylpyrazole-1-carboxamide;3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-1H-pyridin-2-one;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-methoxypyrrolidin-1-yl)ethanone;[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-morpholin-4-ylmethanone;5-[4-[1-[5-(2-methylpyrazol-3-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,N-diethylpyrazole-1-carboxamide;3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-1H-pyridin-2-one;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-methoxypyrrolidin-1-yl)ethanone;[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-morpholin-4-ylmethanone;5-[4-[1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
• PubChem CID: 161228513
• Molecular Formula: C117H119N37O11
• Molecular Weight: 2219.49 g/mol
• Exact Mass: 2217.99
• IUPAC Name: 4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N,N-diethylpyrazole-1-carboxamide;3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-1H-pyridin-2-one;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-methoxypyrrolidin-1-yl)ethanone;[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-morpholin-4-ylmethanone;5-[4-[1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
• SMILES: CCN(CC)C(=O)n1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.COC1CCN(C(=O)Cn2cc(-c3nc(C4(c5ccc(-c6cnc(N)nc6)cc5)CCC4)no3)cn2)C1.Cc1cc(C)c(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)c(=O)[nH]1.Cn1nccc1-c1nc(C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)no1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnn(C(=O)N6CCOCC6)c5)n4)CCC3)cc2)cn1
• InChI: InChI=1S/C26H28N8O3.C24H24N8O3.C24H26N8O2.C23H22N6O2.C20H19N7O/c1-36-21-7-10-33(15-21)22(35)16-34-14-19(13-30-34)23-31-24(32-37-23)26(8-2-9-26)20-5-3-17(4-6-20)18-11-28-25(27)29-12-18;25-22-26-12-17(13-27-22)16-2-4-19(5-3-16)24(6-1-7-24)21-29-20(35-30-21)18-14-28-32(15-18)23(33)31-8-10-34-11-9-31;1-3-31(4-2)23(33)32-15-18(14-28-32)20-29-21(30-34-20)24(10-5-11-24)19-8-6-16(7-9-19)17-12-26-22(25)27-13-17;1-13-10-14(2)27-19(30)18(13)20-28-21(29-31-20)23(8-3-9-23)17-6-4-15(5-7-17)16-11-25-22(24)26-12-16;1-27-16(7-10-24-27)17-25-18(26-28-17)20(8-2-9-20)15-5-3-13(4-6-15)14-11-22-19(21)23-12-14/h3-6,11-14,21H,2,7-10,15-16H2,1H3,(H2,27,28,29);2-5,12-15H,1,6-11H2,(H2,25,26,27);6-9,12-15H,3-5,10-11H2,1-2H3,(H2,25,26,27);4-7,10-12H,3,8-9H2,1-2H3,(H,27,30)(H2,24,25,26);3-7,10-12H,2,8-9H2,1H3,(H2,21,22,23)
• InChIKey: UYLDAPYVCNWIFI-UHFFFAOYSA-N
• XLogP: 15.71
• TPSA: 637.13 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 44
• Rotatable Bonds: 25
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2219.49
LogP ≤ 5	15.71
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	44

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,N-diethylpyrazole-1-carboxamide;3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-1H-pyridin-2-one;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-methoxypyrrolidin-1-yl)ethanone;[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-morpholin-4-ylmethanone;5-[4-[1-[5-(2-methylpyrazol-3-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,N-diethylpyrazole-1-carboxamide;3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-1H-pyridin-2-one;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-methoxypyrrolidin-1-yl)ethanone;[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-morpholin-4-ylmethanone;5-[4-[1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine (CID 161228513) is 4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N,N-diethylpyrazole-1-carboxamide;3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-1H-pyridin-2-one;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-methoxypyrrolidin-1-yl)ethanone;[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-morpholin-4-ylmethanone;5-[4-[1-[5-(2-methylpyrazol-3-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,N-diethylpyrazole-1-carboxamide;3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-1H-pyridin-2-one;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-methoxypyrrolidin-1-yl)ethanone;[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-morpholin-4-ylmethanone;5-[4-[1-[5-(2-methylpyrazol-3-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,N-diethylpyrazole-1-carboxamide;3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-1H-pyridin-2-one;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-methoxypyrrolidin-1-yl)ethanone;[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-morpholin-4-ylmethanone;5-[4-[1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine is CCN(CC)C(=O)n1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.COC1CCN(C(=O)Cn2cc(-c3nc(C4(c5ccc(-c6cnc(N)nc6)cc5)CCC4)no3)cn2)C1.Cc1cc(C)c(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)c(=O)[nH]1.Cn1nccc1-c1nc(C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)no1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnn(C(=O)N6CCOCC6)c5)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,N-diethylpyrazole-1-carboxamide;3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-1H-pyridin-2-one;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-methoxypyrrolidin-1-yl)ethanone;[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-morpholin-4-ylmethanone;5-[4-[1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?

The InChIKey is UYLDAPYVCNWIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8O3.C24H24N8O3.C24H26N8O2.C23H22N6O2.C20H19N7O/c1-36-21-7-10-33(15-21)22(35)16-34-14-19(13-30-34)23-31-24(32-37-23)26(8-2-9-26)20-5-3-17(4-6-20)18-11-28-25(27)29-12-18;25-22-26-12-17(13-27-22)16-2-4-19(5-3-16)24(6-1-7-24)21-29-20(35-30-21)18-14-28-32(15-18)23(33)31-8-10-34-11-9-31;1-3-31(4-2)23(33)32-15-18(14-28-32)20-29-21(30-34-20)24(10-5-11-24)19-8-6-16(7-9-19)17-12-26-22(25)27-13-17;1-13-10-14(2)27-19(30)18(13)20-28-21(29-31-20)23(8-3-9-23)17-6-4-15(5-7-17)16-11-25-22(24)26-12-16;1-27-16(7-10-24-27)17-25-18(26-28-17)20(8-2-9-20)15-5-3-13(4-6-15)14-11-22-19(21)23-12-14/h3-6,11-14,21H,2,7-10,15-16H2,1H3,(H2,27,28,29);2-5,12-15H,1,6-11H2,(H2,25,26,27);6-9,12-15H,3-5,10-11H2,1-2H3,(H2,25,26,27);4-7,10-12H,3,8-9H2,1-2H3,(H,27,30)(H2,24,25,26);3-7,10-12H,2,8-9H2,1H3,(H2,21,22,23).

What are the key properties of 4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N,N-diethylpyrazole-1-carboxamide;3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-1H-pyridin-2-one;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-methoxypyrrolidin-1-yl)ethanone;[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-morpholin-4-ylmethanone;5-[4-[1-[5-(2-methylpyrazol-3-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,N-diethylpyrazole-1-carboxamide;3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-1H-pyridin-2-one;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-methoxypyrrolidin-1-yl)ethanone;[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-morpholin-4-ylmethanone;5-[4-[1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine has a molecular weight of 2219.49 g/mol, XLogP of 15.71, 25 rotatable bonds, 6 hydrogen bond donors, and 44 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,N-diethylpyrazole-1-carboxamide;3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-1H-pyridin-2-one;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-methoxypyrrolidin-1-yl)ethanone;[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-morpholin-4-ylmethanone;5-[4-[1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 161228513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).