About 2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-methoxypyrrolidin-1-yl)ethanone;5-[5-[1-[5-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(5-methyl-2H-pyrrol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[6-(3-methylsulfonylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[6-(3-methylsulfonylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-methoxypyrrolidin-1-yl)ethanone;5-[5-[1-[5-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(5-methyl-2H-pyrrol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[6-(3-methylsulfonylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[6-(3-methylsulfonylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 161442917) has the molecular formula C162H166N56O17S4
and a molecular weight of 3297.75 g/mol. Its IUPAC name is 2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-methoxypyrrolidin-1-yl)ethanone;5-[5-[1-[5-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(5-methyl-2H-pyrrol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[6-(3-methylsulfonylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[6-(3-methylsulfonylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.
Frequently Asked Questions
What is the IUPAC name of 2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-methoxypyrrolidin-1-yl)ethanone;5-[5-[1-[5-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(5-methyl-2H-pyrrol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[6-(3-methylsulfonylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[6-(3-methylsulfonylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-methoxypyrrolidin-1-yl)ethanone;5-[5-[1-[5-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(5-methyl-2H-pyrrol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[6-(3-methylsulfonylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[6-(3-methylsulfonylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (CID 161442917) is 2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-methoxypyrrolidin-1-yl)ethanone;5-[5-[1-[5-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(5-methyl-2H-pyrrol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[6-(3-methylsulfonylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[6-(3-methylsulfonylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-methoxypyrrolidin-1-yl)ethanone;5-[5-[1-[5-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(5-methyl-2H-pyrrol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[6-(3-methylsulfonylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[6-(3-methylsulfonylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-methoxypyrrolidin-1-yl)ethanone;5-[5-[1-[5-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(5-methyl-2H-pyrrol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[6-(3-methylsulfonylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[6-(3-methylsulfonylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is CC1=NCC(c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)=C1.COC1CCN(C(=O)Cn2cc(-c3nc(C4(c5ccc(-c6cnc(N)nc6)nc5)CCC4)no3)cn2)C1.CS(=O)(=O)C1CCN(c2ccc(-c3nc(C4(c5ccc(-c6cnc(N)nc6)nc5)CCC4)no3)cn2)C1.CS(=O)(=O)CCCc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1.CS(=O)(=O)N1CCN(c2ccc(-c3nc(C4(c5ccc(-c6cnc(N)nc6)nc5)CCC4)no3)cn2)CC1.Cn1cnc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)c1.Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(N6CCS(=O)(=O)CC6)nc5)n4)CCC3)cn2)cn1.
What is the InChIKey of 2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-methoxypyrrolidin-1-yl)ethanone;5-[5-[1-[5-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(5-methyl-2H-pyrrol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[6-(3-methylsulfonylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[6-(3-methylsulfonylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is VZNCKVDDVBMEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N9O3S.C25H27N9O3.C25H26N8O3S.C24H24N8O3S.C24H25N7O3S.C20H19N7O.C19H18N8O/c1-38(35,36)34-11-9-33(10-12-34)21-6-3-17(13-28-21)22-31-23(32-37-22)25(7-2-8-25)19-4-5-20(27-16-19)18-14-29-24(26)30-15-18;1-36-19-5-8-33(14-19)21(35)15-34-13-17(11-30-34)22-31-23(32-37-22)25(6-2-7-25)18-3-4-20(27-12-18)16-9-28-24(26)29-10-16;1-37(34,35)19-7-10-33(15-19)21-6-3-16(11-28-21)22-31-23(32-36-22)25(8-2-9-25)18-4-5-20(27-14-18)17-12-29-24(26)30-13-17;25-23-28-13-17(14-29-23)19-4-3-18(15-26-19)24(6-1-7-24)22-30-21(35-31-22)16-2-5-20(27-12-16)32-8-10-36(33,34)11-9-32;1-35(32,33)11-2-4-19-7-5-16(12-26-19)21-30-22(31-34-21)24(9-3-10-24)18-6-8-20(27-15-18)17-13-28-23(25)29-14-17;1-12-7-13(8-22-12)17-26-18(27-28-17)20(5-2-6-20)15-3-4-16(23-11-15)14-9-24-19(21)25-10-14;1-27-10-15(24-11-27)16-25-17(26-28-16)19(5-2-6-19)13-3-4-14(21-9-13)12-7-22-18(20)23-8-12/h3-6,13-16H,2,7-12H2,1H3,(H2,26,29,30);3-4,9-13,19H,2,5-8,14-15H2,1H3,(H2,26,28,29);3-6,11-14,19H,2,7-10,15H2,1H3,(H2,26,29,30);2-5,12-15H,1,6-11H2,(H2,25,28,29);5-8,12-15H,2-4,9-11H2,1H3,(H2,25,28,29);3-4,7,9-11H,2,5-6,8H2,1H3,(H2,21,24,25);3-4,7-11H,2,5-6H2,1H3,(H2,20,22,23).
What are the key properties of 2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-methoxypyrrolidin-1-yl)ethanone;5-[5-[1-[5-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(5-methyl-2H-pyrrol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[6-(3-methylsulfonylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[6-(3-methylsulfonylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-methoxypyrrolidin-1-yl)ethanone;5-[5-[1-[5-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(5-methyl-2H-pyrrol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[6-(3-methylsulfonylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[6-(3-methylsulfonylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 3297.75 g/mol, XLogP of 17.35, 40 rotatable bonds, 7 hydrogen bond donors, and 71 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-methoxypyrrolidin-1-yl)ethanone;5-[5-[1-[5-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(5-methyl-2H-pyrrol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[6-(3-methylsulfonylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[6-(3-methylsulfonylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 161442917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).