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-(1-methylpyrazol-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-(2-methylsulfonylethyl)-3-pyridinyl]-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-methylsulfonylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine

C173H171N63O16S4 — CID 159580859

IUPAC5-[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-(1-methylpyrazol-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-(2-methylsulfonylethyl)-3-pyridinyl]-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-methylsulfonylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESCC1=NCC(c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)=C1.CS(=O)(=O)C1CCN(c2ccc(-c3nc(C4(c5ccc(-c6cnc(N)nc6)nc5)CCC4)no3)cn2)C1.CS(=O)(=O)CCc1ccc(-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.Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1.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.Nc1ncc(-c2ccc(C3(c4noc(-c5cn[nH]c5)n4)CCC3)cn2)cn1
InChIInChI=1S/C25H27N9O3S.C25H26N8O3S.C24H24N8O3S.C23H23N7O3S.C20H19N7O.2C19H18N8O.C18H16N8O/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;1-37(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;1-34(31,32)10-7-18-5-3-15(11-25-18)20-29-21(30-33-20)23(8-2-9-23)17-4-6-19(26-14-17)16-12-27-22(24)28-13-16;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;1-27-11-13(9-24-27)16-25-17(26-28-16)19(5-2-6-19)14-3-4-15(21-10-14)12-7-22-18(20)23-8-12;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;19-17-21-6-11(7-22-17)14-3-2-13(10-20-14)18(4-1-5-18)16-25-15(27-26-16)12-8-23-24-9-12/h3-6,13-16H,2,7-12H2,1H3,(H2,26,29,30);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);3-6,11-14H,2,7-10H2,1H3,(H2,24,27,28);3-4,7,9-11H,2,5-6,8H2,1H3,(H2,21,24,25);2*3-4,7-11H,2,5-6H2,1H3,(H2,20,22,23);2-3,6-10H,1,4-5H2,(H,23,24)(H2,19,21,22)
InChIKeyMIZNXIMIQYHJNB-UHFFFAOYSA-N
MW3516.96 g/mol
LogP19.61
Rot. Bonds40

About 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-(1-methylpyrazol-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-(2-methylsulfonylethyl)-3-pyridinyl]-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-methylsulfonylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine

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-(1-methylpyrazol-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-(2-methylsulfonylethyl)-3-pyridinyl]-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-methylsulfonylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 159580859) has the molecular formula C173H171N63O16S4 and a molecular weight of 3516.96 g/mol. Its IUPAC name is 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-(1-methylpyrazol-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-(2-methylsulfonylethyl)-3-pyridinyl]-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-methylsulfonylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[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-(1-methylpyrazol-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-(2-methylsulfonylethyl)-3-pyridinyl]-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-methylsulfonylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID159580859
Molecular FormulaC173H171N63O16S4
Molecular Weight3516.96 g/mol
Exact Mass3514.34
IUPAC Name5-[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-(1-methylpyrazol-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-(2-methylsulfonylethyl)-3-pyridinyl]-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-methylsulfonylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESCC1=NCC(c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)=C1.CS(=O)(=O)C1CCN(c2ccc(-c3nc(C4(c5ccc(-c6cnc(N)nc6)nc5)CCC4)no3)cn2)C1.CS(=O)(=O)CCc1ccc(-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.Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1.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.Nc1ncc(-c2ccc(C3(c4noc(-c5cn[nH]c5)n4)CCC3)cn2)cn1
InChIInChI=1S/C25H27N9O3S.C25H26N8O3S.C24H24N8O3S.C23H23N7O3S.C20H19N7O.2C19H18N8O.C18H16N8O/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;1-37(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;1-34(31,32)10-7-18-5-3-15(11-25-18)20-29-21(30-33-20)23(8-2-9-23)17-4-6-19(26-14-17)16-12-27-22(24)28-13-16;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;1-27-11-13(9-24-27)16-25-17(26-28-16)19(5-2-6-19)14-3-4-15(21-10-14)12-7-22-18(20)23-8-12;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;19-17-21-6-11(7-22-17)14-3-2-13(10-20-14)18(4-1-5-18)16-25-15(27-26-16)12-8-23-24-9-12/h3-6,13-16H,2,7-12H2,1H3,(H2,26,29,30);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);3-6,11-14H,2,7-10H2,1H3,(H2,24,27,28);3-4,7,9-11H,2,5-6,8H2,1H3,(H2,21,24,25);2*3-4,7-11H,2,5-6H2,1H3,(H2,20,22,23);2-3,6-10H,1,4-5H2,(H,23,24)(H2,19,21,22)
InChIKeyMIZNXIMIQYHJNB-UHFFFAOYSA-N
XLogP19.61
TPSA1106.64 Ų
H-Bond Donors9
H-Bond Acceptors77
Rotatable Bonds40
Heavy Atoms256
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003516.96
LogP ≤ 519.61
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1077

Analyze 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-(1-methylpyrazol-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-(2-methylsulfonylethyl)-3-pyridinyl]-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-methylsulfonylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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-(1-methylpyrazol-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-(2-methylsulfonylethyl)-3-pyridinyl]-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-methylsulfonylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 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-(1-methylpyrazol-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-(2-methylsulfonylethyl)-3-pyridinyl]-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-methylsulfonylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (CID 159580859) is 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-(1-methylpyrazol-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-(2-methylsulfonylethyl)-3-pyridinyl]-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-methylsulfonylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 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-(1-methylpyrazol-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-(2-methylsulfonylethyl)-3-pyridinyl]-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-methylsulfonylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 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-(1-methylpyrazol-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-(2-methylsulfonylethyl)-3-pyridinyl]-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-methylsulfonylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(1H-pyrazol-4-yl)-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.CS(=O)(=O)C1CCN(c2ccc(-c3nc(C4(c5ccc(-c6cnc(N)nc6)nc5)CCC4)no3)cn2)C1.CS(=O)(=O)CCc1ccc(-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.Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1.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.Nc1ncc(-c2ccc(C3(c4noc(-c5cn[nH]c5)n4)CCC3)cn2)cn1.
What is the InChIKey of 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-(1-methylpyrazol-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-(2-methylsulfonylethyl)-3-pyridinyl]-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-methylsulfonylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is MIZNXIMIQYHJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N9O3S.C25H26N8O3S.C24H24N8O3S.C23H23N7O3S.C20H19N7O.2C19H18N8O.C18H16N8O/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;1-37(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;1-34(31,32)10-7-18-5-3-15(11-25-18)20-29-21(30-33-20)23(8-2-9-23)17-4-6-19(26-14-17)16-12-27-22(24)28-13-16;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;1-27-11-13(9-24-27)16-25-17(26-28-16)19(5-2-6-19)14-3-4-15(21-10-14)12-7-22-18(20)23-8-12;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;19-17-21-6-11(7-22-17)14-3-2-13(10-20-14)18(4-1-5-18)16-25-15(27-26-16)12-8-23-24-9-12/h3-6,13-16H,2,7-12H2,1H3,(H2,26,29,30);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);3-6,11-14H,2,7-10H2,1H3,(H2,24,27,28);3-4,7,9-11H,2,5-6,8H2,1H3,(H2,21,24,25);2*3-4,7-11H,2,5-6H2,1H3,(H2,20,22,23);2-3,6-10H,1,4-5H2,(H,23,24)(H2,19,21,22).
What are the key properties of 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-(1-methylpyrazol-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-(2-methylsulfonylethyl)-3-pyridinyl]-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-methylsulfonylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
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-(1-methylpyrazol-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-(2-methylsulfonylethyl)-3-pyridinyl]-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-methylsulfonylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 3516.96 g/mol, XLogP of 19.61, 40 rotatable bonds, 9 hydrogen bond donors, and 77 hydrogen bond acceptors.
Where does this data come from?
All data for 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-(1-methylpyrazol-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-(2-methylsulfonylethyl)-3-pyridinyl]-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-methylsulfonylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 159580859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).