(2S)-4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylic acid;5-[5-[1-[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(2-ethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;methyl (2R)-4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylate;methyl (2S)-4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylate;5-[5-[1-[5-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine

C154H150N58O13S — CID 159947977

IUPAC(2S)-4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylic acid;5-[5-[1-[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(2-ethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;methyl (2R)-4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylate;methyl (2S)-4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylate;5-[5-[1-[5-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESCCc1ncccc1-c1nc(C2(c3ccc(-c4cnc(N)nc4)nc3)CCC2)no1.COC(=O)[C@@H]1CN(c2ccc(-c3nc(C4(c5ccc(-c6cnc(N)nc6)nc5)CCC4)no3)cn2)CCN1.COC(=O)[C@H]1CN(c2ccc(-c3nc(C4(c5ccc(-c6cnc(N)nc6)nc5)CCC4)no3)cn2)CCN1.Cc1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)n(C)n1.Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(N6CCN[C@H](C(=O)O)C6)nc5)n4)CCC3)cn2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cncs5)n4)CCC3)cn2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5ncn[nH]5)n4)CCC3)cn2)cn1
InChIInChI=1S/2C26H27N9O3.C25H25N9O3.C22H21N7O.C20H20N8O.C18H15N7OS.C17H15N9O/c2*1-37-23(36)20-15-35(10-9-28-20)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;26-24-30-11-16(12-31-24)18-4-3-17(13-28-18)25(6-1-7-25)23-32-21(37-33-23)15-2-5-20(29-10-15)34-9-8-27-19(14-34)22(35)36;1-2-17-16(5-3-10-24-17)19-28-20(29-30-19)22(8-4-9-22)15-6-7-18(25-13-15)14-11-26-21(23)27-12-14;1-12-8-16(28(2)26-12)17-25-18(27-29-17)20(6-3-7-20)14-4-5-15(22-11-14)13-9-23-19(21)24-10-13;19-17-22-6-11(7-23-17)13-3-2-12(8-21-13)18(4-1-5-18)16-24-15(26-25-16)14-9-20-10-27-14;18-16-20-6-10(7-21-16)12-3-2-11(8-19-12)17(4-1-5-17)15-24-14(27-26-15)13-22-9-23-25-13/h2*3-6,11-14,20,28H,2,7-10,15H2,1H3,(H2,27,31,32);2-5,10-13,19,27H,1,6-9,14H2,(H,35,36)(H2,26,30,31);3,5-7,10-13H,2,4,8-9H2,1H3,(H2,23,26,27);4-5,8-11H,3,6-7H2,1-2H3,(H2,21,23,24);2-3,6-10H,1,4-5H2,(H2,19,22,23);2-3,6-9H,1,4-5H2,(H2,18,20,21)(H,22,23,25)/t2*20-;19-;;;;/m100..../s1
InChIKeyOBSRQEDFFKEMOS-NOHXJIAZSA-N
MW3053.35 g/mol
LogP17.01
Rot. Bonds35

About (2S)-4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylic acid;5-[5-[1-[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(2-ethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;methyl (2R)-4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylate;methyl (2S)-4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylate;5-[5-[1-[5-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine

(2S)-4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylic acid;5-[5-[1-[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(2-ethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;methyl (2R)-4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylate;methyl (2S)-4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylate;5-[5-[1-[5-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 159947977) has the molecular formula C154H150N58O13S and a molecular weight of 3053.35 g/mol. Its IUPAC name is (2S)-4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylic acid;5-[5-[1-[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(2-ethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;methyl (2R)-4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylate;methyl (2S)-4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylate;5-[5-[1-[5-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name(2S)-4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylic acid;5-[5-[1-[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(2-ethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;methyl (2R)-4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylate;methyl (2S)-4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylate;5-[5-[1-[5-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID159947977
Molecular FormulaC154H150N58O13S
Molecular Weight3053.35 g/mol
Exact Mass3051.26
IUPAC Name(2S)-4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylic acid;5-[5-[1-[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(2-ethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;methyl (2R)-4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylate;methyl (2S)-4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylate;5-[5-[1-[5-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESCCc1ncccc1-c1nc(C2(c3ccc(-c4cnc(N)nc4)nc3)CCC2)no1.COC(=O)[C@@H]1CN(c2ccc(-c3nc(C4(c5ccc(-c6cnc(N)nc6)nc5)CCC4)no3)cn2)CCN1.COC(=O)[C@H]1CN(c2ccc(-c3nc(C4(c5ccc(-c6cnc(N)nc6)nc5)CCC4)no3)cn2)CCN1.Cc1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)n(C)n1.Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(N6CCN[C@H](C(=O)O)C6)nc5)n4)CCC3)cn2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cncs5)n4)CCC3)cn2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5ncn[nH]5)n4)CCC3)cn2)cn1
InChIInChI=1S/2C26H27N9O3.C25H25N9O3.C22H21N7O.C20H20N8O.C18H15N7OS.C17H15N9O/c2*1-37-23(36)20-15-35(10-9-28-20)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;26-24-30-11-16(12-31-24)18-4-3-17(13-28-18)25(6-1-7-25)23-32-21(37-33-23)15-2-5-20(29-10-15)34-9-8-27-19(14-34)22(35)36;1-2-17-16(5-3-10-24-17)19-28-20(29-30-19)22(8-4-9-22)15-6-7-18(25-13-15)14-11-26-21(23)27-12-14;1-12-8-16(28(2)26-12)17-25-18(27-29-17)20(6-3-7-20)14-4-5-15(22-11-14)13-9-23-19(21)24-10-13;19-17-22-6-11(7-23-17)13-3-2-12(8-21-13)18(4-1-5-18)16-24-15(26-25-16)14-9-20-10-27-14;18-16-20-6-10(7-21-16)12-3-2-11(8-19-12)17(4-1-5-17)15-24-14(27-26-15)13-22-9-23-25-13/h2*3-6,11-14,20,28H,2,7-10,15H2,1H3,(H2,27,31,32);2-5,10-13,19,27H,1,6-9,14H2,(H,35,36)(H2,26,30,31);3,5-7,10-13H,2,4,8-9H2,1H3,(H2,23,26,27);4-5,8-11H,3,6-7H2,1-2H3,(H2,21,23,24);2-3,6-10H,1,4-5H2,(H2,19,22,23);2-3,6-9H,1,4-5H2,(H2,18,20,21)(H,22,23,25)/t2*20-;19-;;;;/m100..../s1
InChIKeyOBSRQEDFFKEMOS-NOHXJIAZSA-N
XLogP17.01
TPSA984.82 Ų
H-Bond Donors12
H-Bond Acceptors70
Rotatable Bonds35
Heavy Atoms226
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003053.35
LogP ≤ 517.01
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1070

Analyze (2S)-4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylic acid;5-[5-[1-[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(2-ethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;methyl (2R)-4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylate;methyl (2S)-4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylate;5-[5-[1-[5-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine with MolForge

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Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylic acid;5-[5-[1-[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(2-ethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;methyl (2R)-4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylate;methyl (2S)-4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylate;5-[5-[1-[5-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of (2S)-4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylic acid;5-[5-[1-[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(2-ethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;methyl (2R)-4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylate;methyl (2S)-4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylate;5-[5-[1-[5-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (CID 159947977) is (2S)-4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylic acid;5-[5-[1-[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(2-ethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;methyl (2R)-4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylate;methyl (2S)-4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylate;5-[5-[1-[5-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for (2S)-4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylic acid;5-[5-[1-[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(2-ethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;methyl (2R)-4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylate;methyl (2S)-4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylate;5-[5-[1-[5-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for (2S)-4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylic acid;5-[5-[1-[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(2-ethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;methyl (2R)-4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylate;methyl (2S)-4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylate;5-[5-[1-[5-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is CCc1ncccc1-c1nc(C2(c3ccc(-c4cnc(N)nc4)nc3)CCC2)no1.COC(=O)[C@@H]1CN(c2ccc(-c3nc(C4(c5ccc(-c6cnc(N)nc6)nc5)CCC4)no3)cn2)CCN1.COC(=O)[C@H]1CN(c2ccc(-c3nc(C4(c5ccc(-c6cnc(N)nc6)nc5)CCC4)no3)cn2)CCN1.Cc1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)n(C)n1.Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(N6CCN[C@H](C(=O)O)C6)nc5)n4)CCC3)cn2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cncs5)n4)CCC3)cn2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5ncn[nH]5)n4)CCC3)cn2)cn1.
What is the InChIKey of (2S)-4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylic acid;5-[5-[1-[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(2-ethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;methyl (2R)-4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylate;methyl (2S)-4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylate;5-[5-[1-[5-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is OBSRQEDFFKEMOS-NOHXJIAZSA-N. The full InChI is InChI=1S/2C26H27N9O3.C25H25N9O3.C22H21N7O.C20H20N8O.C18H15N7OS.C17H15N9O/c2*1-37-23(36)20-15-35(10-9-28-20)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;26-24-30-11-16(12-31-24)18-4-3-17(13-28-18)25(6-1-7-25)23-32-21(37-33-23)15-2-5-20(29-10-15)34-9-8-27-19(14-34)22(35)36;1-2-17-16(5-3-10-24-17)19-28-20(29-30-19)22(8-4-9-22)15-6-7-18(25-13-15)14-11-26-21(23)27-12-14;1-12-8-16(28(2)26-12)17-25-18(27-29-17)20(6-3-7-20)14-4-5-15(22-11-14)13-9-23-19(21)24-10-13;19-17-22-6-11(7-23-17)13-3-2-12(8-21-13)18(4-1-5-18)16-24-15(26-25-16)14-9-20-10-27-14;18-16-20-6-10(7-21-16)12-3-2-11(8-19-12)17(4-1-5-17)15-24-14(27-26-15)13-22-9-23-25-13/h2*3-6,11-14,20,28H,2,7-10,15H2,1H3,(H2,27,31,32);2-5,10-13,19,27H,1,6-9,14H2,(H,35,36)(H2,26,30,31);3,5-7,10-13H,2,4,8-9H2,1H3,(H2,23,26,27);4-5,8-11H,3,6-7H2,1-2H3,(H2,21,23,24);2-3,6-10H,1,4-5H2,(H2,19,22,23);2-3,6-9H,1,4-5H2,(H2,18,20,21)(H,22,23,25)/t2*20-;19-;;;;/m100..../s1.
What are the key properties of (2S)-4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylic acid;5-[5-[1-[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(2-ethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;methyl (2R)-4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylate;methyl (2S)-4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylate;5-[5-[1-[5-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
(2S)-4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylic acid;5-[5-[1-[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(2-ethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;methyl (2R)-4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylate;methyl (2S)-4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylate;5-[5-[1-[5-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 3053.35 g/mol, XLogP of 17.01, 35 rotatable bonds, 12 hydrogen bond donors, and 70 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylic acid;5-[5-[1-[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(2-ethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;methyl (2R)-4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylate;methyl (2S)-4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-2-carboxylate;5-[5-[1-[5-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 159947977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).