5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methanesulfonamide;2-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]ethanol;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-morpholin-4-ylmethanone;3-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]propan-1-ol;1-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]propan-1-one;5-[4-[1-[5-[6-(3-methoxypropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(6-propyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine

C188H187N51O17S — CID 158269634

IUPAC5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methanesulfonamide;2-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]ethanol;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-morpholin-4-ylmethanone;3-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]propan-1-ol;1-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]propan-1-one;5-[4-[1-[5-[6-(3-methoxypropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(6-propyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
SMILESCCC(=O)c1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.CCCc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.CN(C)C(=O)c1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.CN(CCO)c1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.COCCCc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.CS(=O)(=O)Nc1nc(C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)no1.Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(C(=O)N6CCOCC6)nc5)n4)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(CCCO)nc5)n4)CCC3)cc2)cn1
InChIInChI=1S/C26H25N7O3.C25H26N6O2.C24H23N7O2.C24H25N7O2.C24H24N6O2.C24H22N6O2.C24H24N6O.C17H18N6O3S/c27-25-29-15-19(16-30-25)17-2-5-20(6-3-17)26(8-1-9-26)24-31-22(36-32-24)18-4-7-21(28-14-18)23(34)33-10-12-35-13-11-33;1-32-13-2-4-21-10-7-18(14-27-21)22-30-23(31-33-22)25(11-3-12-25)20-8-5-17(6-9-20)19-15-28-24(26)29-16-19;1-31(2)21(32)19-9-6-16(12-26-19)20-29-22(30-33-20)24(10-3-11-24)18-7-4-15(5-8-18)17-13-27-23(25)28-14-17;1-31(11-12-32)20-8-5-17(13-26-20)21-29-22(30-33-21)24(9-2-10-24)19-6-3-16(4-7-19)18-14-27-23(25)28-15-18;25-23-27-14-18(15-28-23)16-4-7-19(8-5-16)24(10-2-11-24)22-29-21(32-30-22)17-6-9-20(26-13-17)3-1-12-31;1-2-20(31)19-9-6-16(12-26-19)21-29-22(30-32-21)24(10-3-11-24)18-7-4-15(5-8-18)17-13-27-23(25)28-14-17;1-2-4-20-10-7-17(13-26-20)21-29-22(30-31-21)24(11-3-12-24)19-8-5-16(6-9-19)18-14-27-23(25)28-15-18;1-27(24,25)23-16-21-14(22-26-16)17(7-2-8-17)13-5-3-11(4-6-13)12-9-19-15(18)20-10-12/h2-7,14-16H,1,8-13H2,(H2,27,29,30);5-10,14-16H,2-4,11-13H2,1H3,(H2,26,28,29);4-9,12-14H,3,10-11H2,1-2H3,(H2,25,27,28);3-8,13-15,32H,2,9-12H2,1H3,(H2,25,27,28);4-9,13-15,31H,1-3,10-12H2,(H2,25,27,28);4-9,12-14H,2-3,10-11H2,1H3,(H2,25,27,28);5-10,13-15H,2-4,11-12H2,1H3,(H2,25,27,28);3-6,9-10H,2,7-8H2,1H3,(H2,18,19,20)(H,21,22,23)
InChIKeyGIWGWKHINRBWNY-UHFFFAOYSA-N
MW3464.97 g/mol
LogP28.09
Rot. Bonds49

About 5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methanesulfonamide;2-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]ethanol;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-morpholin-4-ylmethanone;3-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]propan-1-ol;1-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]propan-1-one;5-[4-[1-[5-[6-(3-methoxypropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(6-propyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine

5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methanesulfonamide;2-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]ethanol;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-morpholin-4-ylmethanone;3-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]propan-1-ol;1-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]propan-1-one;5-[4-[1-[5-[6-(3-methoxypropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(6-propyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine (PubChem CID 158269634) has the molecular formula C188H187N51O17S and a molecular weight of 3464.97 g/mol. Its IUPAC name is 5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methanesulfonamide;2-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]ethanol;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-morpholin-4-ylmethanone;3-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]propan-1-ol;1-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]propan-1-one;5-[4-[1-[5-[6-(3-methoxypropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(6-propyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methanesulfonamide;2-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]ethanol;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-morpholin-4-ylmethanone;3-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]propan-1-ol;1-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]propan-1-one;5-[4-[1-[5-[6-(3-methoxypropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(6-propyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
PubChem CID158269634
Molecular FormulaC188H187N51O17S
Molecular Weight3464.97 g/mol
Exact Mass3462.51
IUPAC Name5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methanesulfonamide;2-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]ethanol;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-morpholin-4-ylmethanone;3-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]propan-1-ol;1-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]propan-1-one;5-[4-[1-[5-[6-(3-methoxypropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(6-propyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
SMILESCCC(=O)c1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.CCCc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.CN(C)C(=O)c1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.CN(CCO)c1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.COCCCc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.CS(=O)(=O)Nc1nc(C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)no1.Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(C(=O)N6CCOCC6)nc5)n4)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(CCCO)nc5)n4)CCC3)cc2)cn1
InChIInChI=1S/C26H25N7O3.C25H26N6O2.C24H23N7O2.C24H25N7O2.C24H24N6O2.C24H22N6O2.C24H24N6O.C17H18N6O3S/c27-25-29-15-19(16-30-25)17-2-5-20(6-3-17)26(8-1-9-26)24-31-22(36-32-24)18-4-7-21(28-14-18)23(34)33-10-12-35-13-11-33;1-32-13-2-4-21-10-7-18(14-27-21)22-30-23(31-33-22)25(11-3-12-25)20-8-5-17(6-9-20)19-15-28-24(26)29-16-19;1-31(2)21(32)19-9-6-16(12-26-19)20-29-22(30-33-20)24(10-3-11-24)18-7-4-15(5-8-18)17-13-27-23(25)28-14-17;1-31(11-12-32)20-8-5-17(13-26-20)21-29-22(30-33-21)24(9-2-10-24)19-6-3-16(4-7-19)18-14-27-23(25)28-15-18;25-23-27-14-18(15-28-23)16-4-7-19(8-5-16)24(10-2-11-24)22-29-21(32-30-22)17-6-9-20(26-13-17)3-1-12-31;1-2-20(31)19-9-6-16(12-26-19)21-29-22(30-32-21)24(10-3-11-24)18-7-4-15(5-8-18)17-13-27-23(25)28-14-17;1-2-4-20-10-7-17(13-26-20)21-29-22(30-31-21)24(11-3-12-24)19-8-5-16(6-9-19)18-14-27-23(25)28-15-18;1-27(24,25)23-16-21-14(22-26-16)17(7-2-8-17)13-5-3-11(4-6-13)12-9-19-15(18)20-10-12/h2-7,14-16H,1,8-13H2,(H2,27,29,30);5-10,14-16H,2-4,11-13H2,1H3,(H2,26,28,29);4-9,12-14H,3,10-11H2,1-2H3,(H2,25,27,28);3-8,13-15,32H,2,9-12H2,1H3,(H2,25,27,28);4-9,13-15,31H,1-3,10-12H2,(H2,25,27,28);4-9,12-14H,2-3,10-11H2,1H3,(H2,25,27,28);5-10,13-15H,2-4,11-12H2,1H3,(H2,25,27,28);3-6,9-10H,2,7-8H2,1H3,(H2,18,19,20)(H,21,22,23)
InChIKeyGIWGWKHINRBWNY-UHFFFAOYSA-N
XLogP28.09
TPSA982.01 Ų
H-Bond Donors11
H-Bond Acceptors65
Rotatable Bonds49
Heavy Atoms257
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003464.97
LogP ≤ 528.09
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1065

Computed Properties (RDKit)

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

Analyze 5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methanesulfonamide;2-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]ethanol;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-morpholin-4-ylmethanone;3-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]propan-1-ol;1-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]propan-1-one;5-[4-[1-[5-[6-(3-methoxypropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(6-propyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methanesulfonamide;2-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]ethanol;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-morpholin-4-ylmethanone;3-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]propan-1-ol;1-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]propan-1-one;5-[4-[1-[5-[6-(3-methoxypropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(6-propyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?
The IUPAC name of 5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methanesulfonamide;2-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]ethanol;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-morpholin-4-ylmethanone;3-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]propan-1-ol;1-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]propan-1-one;5-[4-[1-[5-[6-(3-methoxypropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(6-propyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine (CID 158269634) is 5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methanesulfonamide;2-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]ethanol;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-morpholin-4-ylmethanone;3-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]propan-1-ol;1-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]propan-1-one;5-[4-[1-[5-[6-(3-methoxypropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(6-propyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methanesulfonamide;2-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]ethanol;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-morpholin-4-ylmethanone;3-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]propan-1-ol;1-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]propan-1-one;5-[4-[1-[5-[6-(3-methoxypropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(6-propyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?
The canonical SMILES for 5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methanesulfonamide;2-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]ethanol;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-morpholin-4-ylmethanone;3-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]propan-1-ol;1-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]propan-1-one;5-[4-[1-[5-[6-(3-methoxypropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(6-propyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine is CCC(=O)c1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.CCCc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.CN(C)C(=O)c1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.CN(CCO)c1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.COCCCc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.CS(=O)(=O)Nc1nc(C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)no1.Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(C(=O)N6CCOCC6)nc5)n4)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(CCCO)nc5)n4)CCC3)cc2)cn1.
What is the InChIKey of 5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methanesulfonamide;2-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]ethanol;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-morpholin-4-ylmethanone;3-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]propan-1-ol;1-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]propan-1-one;5-[4-[1-[5-[6-(3-methoxypropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(6-propyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?
The InChIKey is GIWGWKHINRBWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O3.C25H26N6O2.C24H23N7O2.C24H25N7O2.C24H24N6O2.C24H22N6O2.C24H24N6O.C17H18N6O3S/c27-25-29-15-19(16-30-25)17-2-5-20(6-3-17)26(8-1-9-26)24-31-22(36-32-24)18-4-7-21(28-14-18)23(34)33-10-12-35-13-11-33;1-32-13-2-4-21-10-7-18(14-27-21)22-30-23(31-33-22)25(11-3-12-25)20-8-5-17(6-9-20)19-15-28-24(26)29-16-19;1-31(2)21(32)19-9-6-16(12-26-19)20-29-22(30-33-20)24(10-3-11-24)18-7-4-15(5-8-18)17-13-27-23(25)28-14-17;1-31(11-12-32)20-8-5-17(13-26-20)21-29-22(30-33-21)24(9-2-10-24)19-6-3-16(4-7-19)18-14-27-23(25)28-15-18;25-23-27-14-18(15-28-23)16-4-7-19(8-5-16)24(10-2-11-24)22-29-21(32-30-22)17-6-9-20(26-13-17)3-1-12-31;1-2-20(31)19-9-6-16(12-26-19)21-29-22(30-32-21)24(10-3-11-24)18-7-4-15(5-8-18)17-13-27-23(25)28-14-17;1-2-4-20-10-7-17(13-26-20)21-29-22(30-31-21)24(11-3-12-24)19-8-5-16(6-9-19)18-14-27-23(25)28-15-18;1-27(24,25)23-16-21-14(22-26-16)17(7-2-8-17)13-5-3-11(4-6-13)12-9-19-15(18)20-10-12/h2-7,14-16H,1,8-13H2,(H2,27,29,30);5-10,14-16H,2-4,11-13H2,1H3,(H2,26,28,29);4-9,12-14H,3,10-11H2,1-2H3,(H2,25,27,28);3-8,13-15,32H,2,9-12H2,1H3,(H2,25,27,28);4-9,13-15,31H,1-3,10-12H2,(H2,25,27,28);4-9,12-14H,2-3,10-11H2,1H3,(H2,25,27,28);5-10,13-15H,2-4,11-12H2,1H3,(H2,25,27,28);3-6,9-10H,2,7-8H2,1H3,(H2,18,19,20)(H,21,22,23).
What are the key properties of 5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methanesulfonamide;2-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]ethanol;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-morpholin-4-ylmethanone;3-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]propan-1-ol;1-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]propan-1-one;5-[4-[1-[5-[6-(3-methoxypropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(6-propyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?
5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methanesulfonamide;2-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]ethanol;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-morpholin-4-ylmethanone;3-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]propan-1-ol;1-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]propan-1-one;5-[4-[1-[5-[6-(3-methoxypropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(6-propyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine has a molecular weight of 3464.97 g/mol, XLogP of 28.09, 49 rotatable bonds, 11 hydrogen bond donors, and 65 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methanesulfonamide;2-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]ethanol;[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-morpholin-4-ylmethanone;3-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]propan-1-ol;1-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]propan-1-one;5-[4-[1-[5-[6-(3-methoxypropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(6-propyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 158269634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).