2-[[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]ethanol;(3S)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-ol;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-[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;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-methylsulfonyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine

C165H169N55O17S3 — CID 158019224

IUPAC2-[[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]ethanol;(3S)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-ol;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-[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;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-methylsulfonyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESCN(CCO)c1ccc(-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)N1CCN(c2ccc(-c3nc(C4(c5ccc(-c6cnc(N)nc6)nc5)CCC4)no3)cn2)CC1.CS(=O)(=O)c1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(N6CCS(=O)(=O)CC6)nc5)n4)CCC3)cn2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(N6CC[C@H](O)C6)nc5)n4)CCC3)cn2)cn1
InChIInChI=1S/C25H27N9O3S.C24H24N8O3S.C24H24N8O2.C24H26N8O2.C24H25N7O2.C23H24N8O2.C21H19N7O3S/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;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;25-23-28-11-16(12-29-23)19-4-3-17(13-26-19)24(7-1-8-24)22-30-21(34-31-22)15-2-5-20(27-10-15)32-9-6-18(33)14-32;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;1-31(9-10-32)19-6-3-15(11-26-19)20-29-21(30-33-20)23(7-2-8-23)17-4-5-18(25-14-17)16-12-27-22(24)28-13-16;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/h3-6,13-16H,2,7-12H2,1H3,(H2,26,29,30);2-5,12-15H,1,6-11H2,(H2,25,28,29);2-5,10-13,18,33H,1,6-9,14H2,(H2,25,28,29);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);3-6,11-14,32H,2,7-10H2,1H3,(H2,24,27,28);3-6,9-12H,2,7-8H2,1H3,(H2,22,25,26)/t;;18-;;;;/m..0..../s1
InChIKeyFFVYPFHSIHIMTF-VWUJCMANSA-N
MW3290.74 g/mol
LogP18.63
Rot. Bonds44

About 2-[[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]ethanol;(3S)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-ol;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-[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;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-methylsulfonyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine

2-[[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]ethanol;(3S)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-ol;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-[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;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-methylsulfonyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 158019224) has the molecular formula C165H169N55O17S3 and a molecular weight of 3290.74 g/mol. Its IUPAC name is 2-[[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]ethanol;(3S)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-ol;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-[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;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-methylsulfonyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name2-[[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]ethanol;(3S)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-ol;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-[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;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-methylsulfonyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID158019224
Molecular FormulaC165H169N55O17S3
Molecular Weight3290.74 g/mol
Exact Mass3288.32
IUPAC Name2-[[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]ethanol;(3S)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-ol;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-[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;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-methylsulfonyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESCN(CCO)c1ccc(-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)N1CCN(c2ccc(-c3nc(C4(c5ccc(-c6cnc(N)nc6)nc5)CCC4)no3)cn2)CC1.CS(=O)(=O)c1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(N6CCS(=O)(=O)CC6)nc5)n4)CCC3)cn2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(N6CC[C@H](O)C6)nc5)n4)CCC3)cn2)cn1
InChIInChI=1S/C25H27N9O3S.C24H24N8O3S.C24H24N8O2.C24H26N8O2.C24H25N7O2.C23H24N8O2.C21H19N7O3S/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;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;25-23-28-11-16(12-29-23)19-4-3-17(13-26-19)24(7-1-8-24)22-30-21(34-31-22)15-2-5-20(27-10-15)32-9-6-18(33)14-32;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;1-31(9-10-32)19-6-3-15(11-26-19)20-29-21(30-33-20)23(7-2-8-23)17-4-5-18(25-14-17)16-12-27-22(24)28-13-16;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/h3-6,13-16H,2,7-12H2,1H3,(H2,26,29,30);2-5,12-15H,1,6-11H2,(H2,25,28,29);2-5,10-13,18,33H,1,6-9,14H2,(H2,25,28,29);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);3-6,11-14,32H,2,7-10H2,1H3,(H2,24,27,28);3-6,9-12H,2,7-8H2,1H3,(H2,22,25,26)/t;;18-;;;;/m..0..../s1
InChIKeyFFVYPFHSIHIMTF-VWUJCMANSA-N
XLogP18.63
TPSA996.28 Ų
H-Bond Donors9
H-Bond Acceptors71
Rotatable Bonds44
Heavy Atoms240
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003290.74
LogP ≤ 518.63
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1071

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]ethanol;(3S)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-ol;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-[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;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-methylsulfonyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]ethanol;(3S)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-ol;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-[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;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-methylsulfonyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 2-[[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]ethanol;(3S)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-ol;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-[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;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-methylsulfonyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (CID 158019224) is 2-[[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]ethanol;(3S)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-ol;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-[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;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-methylsulfonyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 2-[[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]ethanol;(3S)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-ol;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-[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;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-methylsulfonyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 2-[[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]ethanol;(3S)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-ol;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-[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;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-methylsulfonyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is CN(CCO)c1ccc(-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)N1CCN(c2ccc(-c3nc(C4(c5ccc(-c6cnc(N)nc6)nc5)CCC4)no3)cn2)CC1.CS(=O)(=O)c1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(N6CCS(=O)(=O)CC6)nc5)n4)CCC3)cn2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(N6CC[C@H](O)C6)nc5)n4)CCC3)cn2)cn1.
What is the InChIKey of 2-[[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]ethanol;(3S)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-ol;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-[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;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-methylsulfonyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is FFVYPFHSIHIMTF-VWUJCMANSA-N. The full InChI is InChI=1S/C25H27N9O3S.C24H24N8O3S.C24H24N8O2.C24H26N8O2.C24H25N7O2.C23H24N8O2.C21H19N7O3S/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;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;25-23-28-11-16(12-29-23)19-4-3-17(13-26-19)24(7-1-8-24)22-30-21(34-31-22)15-2-5-20(27-10-15)32-9-6-18(33)14-32;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;1-31(9-10-32)19-6-3-15(11-26-19)20-29-21(30-33-20)23(7-2-8-23)17-4-5-18(25-14-17)16-12-27-22(24)28-13-16;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/h3-6,13-16H,2,7-12H2,1H3,(H2,26,29,30);2-5,12-15H,1,6-11H2,(H2,25,28,29);2-5,10-13,18,33H,1,6-9,14H2,(H2,25,28,29);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);3-6,11-14,32H,2,7-10H2,1H3,(H2,24,27,28);3-6,9-12H,2,7-8H2,1H3,(H2,22,25,26)/t;;18-;;;;/m..0..../s1.
What are the key properties of 2-[[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]ethanol;(3S)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-ol;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-[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;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-methylsulfonyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
2-[[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]ethanol;(3S)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-ol;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-[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;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-methylsulfonyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 3290.74 g/mol, XLogP of 18.63, 44 rotatable bonds, 9 hydrogen bond donors, and 71 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]ethanol;(3S)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-ol;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-[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;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-methylsulfonyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 158019224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).