About (2S)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidine-2-carboxylic acid;5-[5-[1-[5-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[6-(3-methoxypropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;methyl (2R)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylate;methyl (2S)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidine-2-carboxylate;5-[5-[1-[5-(6-methylsulfonyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(4-methyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
(2S)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidine-2-carboxylic acid;5-[5-[1-[5-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[6-(3-methoxypropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;methyl (2R)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylate;methyl (2S)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidine-2-carboxylate;5-[5-[1-[5-(6-methylsulfonyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(4-methyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 162062807) has the molecular formula C164H164N56O17S
and a molecular weight of 3223.56 g/mol. Its IUPAC name is (2S)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidine-2-carboxylic acid;5-[5-[1-[5-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[6-(3-methoxypropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;methyl (2R)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylate;methyl (2S)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidine-2-carboxylate;5-[5-[1-[5-(6-methylsulfonyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(4-methyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.
Frequently Asked Questions
What is the IUPAC name of (2S)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidine-2-carboxylic acid;5-[5-[1-[5-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[6-(3-methoxypropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;methyl (2R)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylate;methyl (2S)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidine-2-carboxylate;5-[5-[1-[5-(6-methylsulfonyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(4-methyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of (2S)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidine-2-carboxylic acid;5-[5-[1-[5-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[6-(3-methoxypropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;methyl (2R)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylate;methyl (2S)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidine-2-carboxylate;5-[5-[1-[5-(6-methylsulfonyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(4-methyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (CID 162062807) is (2S)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidine-2-carboxylic acid;5-[5-[1-[5-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[6-(3-methoxypropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;methyl (2R)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylate;methyl (2S)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidine-2-carboxylate;5-[5-[1-[5-(6-methylsulfonyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(4-methyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for (2S)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidine-2-carboxylic acid;5-[5-[1-[5-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[6-(3-methoxypropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;methyl (2R)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylate;methyl (2S)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidine-2-carboxylate;5-[5-[1-[5-(6-methylsulfonyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(4-methyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for (2S)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidine-2-carboxylic acid;5-[5-[1-[5-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[6-(3-methoxypropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;methyl (2R)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylate;methyl (2S)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidine-2-carboxylate;5-[5-[1-[5-(6-methylsulfonyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(4-methyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is COC(=O)[C@@H]1CCCN1c1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1.COC(=O)[C@H]1CNCCN1c1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1.COCCCc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1.COCCN(C)c1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1.CS(=O)(=O)c1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1.Cn1cnnc1-c1nc(C2(c3ccc(-c4cnc(N)nc4)nc3)CCC2)no1.Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(N6CCC[C@H]6C(=O)O)nc5)n4)CCC3)cn2)cn1.
What is the InChIKey of (2S)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidine-2-carboxylic acid;5-[5-[1-[5-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[6-(3-methoxypropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;methyl (2R)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylate;methyl (2S)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidine-2-carboxylate;5-[5-[1-[5-(6-methylsulfonyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(4-methyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is ZABIYRZXDLRAAE-NOHXJIAZSA-N. The full InChI is InChI=1S/C26H27N9O3.C26H26N8O3.C25H24N8O3.C24H26N8O2.C24H25N7O2.C21H19N7O3S.C18H17N9O/c1-37-23(36)20-15-28-9-10-35(20)21-6-3-16(11-30-21)22-33-24(34-38-22)26(7-2-8-26)18-4-5-19(29-14-18)17-12-31-25(27)32-13-17;1-36-23(35)20-4-2-11-34(20)21-8-5-16(12-29-21)22-32-24(33-37-22)26(9-3-10-26)18-6-7-19(28-15-18)17-13-30-25(27)31-14-17;26-24-29-12-16(13-30-24)18-6-5-17(14-27-18)25(8-2-9-25)23-31-21(36-32-23)15-4-7-20(28-11-15)33-10-1-3-19(33)22(34)35;1-32(10-11-33-2)20-7-4-16(12-27-20)21-30-22(31-34-21)24(8-3-9-24)18-5-6-19(26-15-18)17-13-28-23(25)29-14-17;1-32-11-2-4-19-7-5-16(12-26-19)21-30-22(31-33-21)24(9-3-10-24)18-6-8-20(27-15-18)17-13-28-23(25)29-14-17;1-32(29,30)17-6-3-13(9-24-17)18-27-19(28-31-18)21(7-2-8-21)15-4-5-16(23-12-15)14-10-25-20(22)26-11-14;1-27-10-23-25-14(27)15-24-16(26-28-15)18(5-2-6-18)12-3-4-13(20-9-12)11-7-21-17(19)22-8-11/h3-6,11-14,20,28H,2,7-10,15H2,1H3,(H2,27,31,32);5-8,12-15,20H,2-4,9-11H2,1H3,(H2,27,30,31);4-7,11-14,19H,1-3,8-10H2,(H,34,35)(H2,26,29,30);4-7,12-15H,3,8-11H2,1-2H3,(H2,25,28,29);5-8,12-15H,2-4,9-11H2,1H3,(H2,25,28,29);3-6,9-12H,2,7-8H2,1H3,(H2,22,25,26);3-4,7-10H,2,5-6H2,1H3,(H2,19,21,22)/t2*20-;19-;;;;/m100..../s1.
What are the key properties of (2S)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidine-2-carboxylic acid;5-[5-[1-[5-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[6-(3-methoxypropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;methyl (2R)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylate;methyl (2S)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidine-2-carboxylate;5-[5-[1-[5-(6-methylsulfonyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(4-methyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
(2S)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidine-2-carboxylic acid;5-[5-[1-[5-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[6-(3-methoxypropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;methyl (2R)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylate;methyl (2S)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidine-2-carboxylate;5-[5-[1-[5-(6-methylsulfonyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(4-methyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 3223.56 g/mol, XLogP of 19.20, 43 rotatable bonds, 9 hydrogen bond donors, and 72 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidine-2-carboxylic acid;5-[5-[1-[5-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[6-(3-methoxypropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;methyl (2R)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylate;methyl (2S)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidine-2-carboxylate;5-[5-[1-[5-(6-methylsulfonyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(4-methyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 162062807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).