2-[4-[5-amino-6-[5-[4-(3-aminobutyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-(cyclohexen-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-[(cyclohexylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[methyl(2-oxopropyl)amino]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[3-(4-methylpiperidin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile

C157H155N47O7 — CID 158733911

IUPAC2-[4-[5-amino-6-[5-[4-(3-aminobutyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-(cyclohexen-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-[(cyclohexylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[methyl(2-oxopropyl)amino]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[3-(4-methylpiperidin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile
SMILESCC(=O)CN(C)c1ccc(-c2cc(-c3nc(-c4ccnc(C(C)(C)C#N)c4)cnc3N)on2)cc1.CC(C)(C#N)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc(C5=CCCCC5)cc4)o3)n2)ccn1.CC(C)(C#N)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc(C5=NCCN5)cc4)o3)n2)ccn1.CC(C)(C#N)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc(CNC5CCCCC5)cc4)o3)n2)ccn1.CC(N)CCc1ccc(-c2nnc(-c3nc(-c4ccnc(C(C)(C)C#N)c4)cnc3N)o2)cc1.CC1CCN(c2cccc(-c3nnc(-c4nc(-c5ccnc(C(C)(C)C#N)c5)cnc4N)o3)c2)CC1
InChIInChI=1S/C28H30N8O.C27H28N8O.C27H25N7O.C26H25N7O2.C25H26N8O.C24H21N9O/c1-28(2,17-29)23-14-20(12-13-31-23)22-16-33-25(30)24(34-22)27-36-35-26(37-27)19-10-8-18(9-11-19)15-32-21-6-4-3-5-7-21;1-17-8-11-35(12-9-17)20-6-4-5-19(13-20)25-33-34-26(36-25)23-24(29)31-15-21(32-23)18-7-10-30-22(14-18)27(2,3)16-28;1-27(2,16-28)22-14-20(12-13-30-22)21-15-31-24(29)23(32-21)26-34-33-25(35-26)19-10-8-18(9-11-19)17-6-4-3-5-7-17;1-16(34)14-33(4)19-7-5-17(6-8-19)20-12-22(35-32-20)24-25(28)30-13-21(31-24)18-9-10-29-23(11-18)26(2,3)15-27;1-15(27)4-5-16-6-8-17(9-7-16)23-32-33-24(34-23)21-22(28)30-13-19(31-21)18-10-11-29-20(12-18)25(2,3)14-26;1-24(2,13-25)18-11-16(7-8-27-18)17-12-30-20(26)19(31-17)23-33-32-22(34-23)15-5-3-14(4-6-15)21-28-9-10-29-21/h8-14,16,21,32H,3-7,15H2,1-2H3,(H2,30,33);4-7,10,13-15,17H,8-9,11-12H2,1-3H3,(H2,29,31);6,8-15H,3-5,7H2,1-2H3,(H2,29,31);5-13H,14H2,1-4H3,(H2,28,30);6-13,15H,4-5,27H2,1-3H3,(H2,28,30);3-8,11-12H,9-10H2,1-2H3,(H2,26,30)(H,28,29)
InChIKeyILKYPMBAVSSTMJ-UHFFFAOYSA-N
MW2812.29 g/mol
LogP26.71
Rot. Bonds36

About 2-[4-[5-amino-6-[5-[4-(3-aminobutyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-(cyclohexen-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-[(cyclohexylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[methyl(2-oxopropyl)amino]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[3-(4-methylpiperidin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile

2-[4-[5-amino-6-[5-[4-(3-aminobutyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-(cyclohexen-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-[(cyclohexylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[methyl(2-oxopropyl)amino]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[3-(4-methylpiperidin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile (PubChem CID 158733911) has the molecular formula C157H155N47O7 and a molecular weight of 2812.29 g/mol. Its IUPAC name is 2-[4-[5-amino-6-[5-[4-(3-aminobutyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-(cyclohexen-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-[(cyclohexylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[methyl(2-oxopropyl)amino]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[3-(4-methylpiperidin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[4-[5-amino-6-[5-[4-(3-aminobutyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-(cyclohexen-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-[(cyclohexylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[methyl(2-oxopropyl)amino]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[3-(4-methylpiperidin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile
PubChem CID158733911
Molecular FormulaC157H155N47O7
Molecular Weight2812.29 g/mol
Exact Mass2810.32
IUPAC Name2-[4-[5-amino-6-[5-[4-(3-aminobutyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-(cyclohexen-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-[(cyclohexylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[methyl(2-oxopropyl)amino]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[3-(4-methylpiperidin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile
SMILESCC(=O)CN(C)c1ccc(-c2cc(-c3nc(-c4ccnc(C(C)(C)C#N)c4)cnc3N)on2)cc1.CC(C)(C#N)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc(C5=CCCCC5)cc4)o3)n2)ccn1.CC(C)(C#N)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc(C5=NCCN5)cc4)o3)n2)ccn1.CC(C)(C#N)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc(CNC5CCCCC5)cc4)o3)n2)ccn1.CC(N)CCc1ccc(-c2nnc(-c3nc(-c4ccnc(C(C)(C)C#N)c4)cnc3N)o2)cc1.CC1CCN(c2cccc(-c3nnc(-c4nc(-c5ccnc(C(C)(C)C#N)c5)cnc4N)o3)c2)CC1
InChIInChI=1S/C28H30N8O.C27H28N8O.C27H25N7O.C26H25N7O2.C25H26N8O.C24H21N9O/c1-28(2,17-29)23-14-20(12-13-31-23)22-16-33-25(30)24(34-22)27-36-35-26(37-27)19-10-8-18(9-11-19)15-32-21-6-4-3-5-7-21;1-17-8-11-35(12-9-17)20-6-4-5-19(13-20)25-33-34-26(36-25)23-24(29)31-15-21(32-23)18-7-10-30-22(14-18)27(2,3)16-28;1-27(2,16-28)22-14-20(12-13-30-22)21-15-31-24(29)23(32-21)26-34-33-25(35-26)19-10-8-18(9-11-19)17-6-4-3-5-7-17;1-16(34)14-33(4)19-7-5-17(6-8-19)20-12-22(35-32-20)24-25(28)30-13-21(31-24)18-9-10-29-23(11-18)26(2,3)15-27;1-15(27)4-5-16-6-8-17(9-7-16)23-32-33-24(34-23)21-22(28)30-13-19(31-21)18-10-11-29-20(12-18)25(2,3)14-26;1-24(2,13-25)18-11-16(7-8-27-18)17-12-30-20(26)19(31-17)23-33-32-22(34-23)15-5-3-14(4-6-15)21-28-9-10-29-21/h8-14,16,21,32H,3-7,15H2,1-2H3,(H2,30,33);4-7,10,13-15,17H,8-9,11-12H2,1-3H3,(H2,29,31);6,8-15H,3-5,7H2,1-2H3,(H2,29,31);5-13H,14H2,1-4H3,(H2,28,30);6-13,15H,4-5,27H2,1-3H3,(H2,28,30);3-8,11-12H,9-10H2,1-2H3,(H2,26,30)(H,28,29)
InChIKeyILKYPMBAVSSTMJ-UHFFFAOYSA-N
XLogP26.71
TPSA837.50 Ų
H-Bond Donors9
H-Bond Acceptors54
Rotatable Bonds36
Heavy Atoms211
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002812.29
LogP ≤ 526.71
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1054

Analyze 2-[4-[5-amino-6-[5-[4-(3-aminobutyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-(cyclohexen-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-[(cyclohexylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[methyl(2-oxopropyl)amino]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[3-(4-methylpiperidin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile with MolForge

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Related Compounds

2-[4-[6-[5-[3-(Azetidin-3-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[4-[5-methyl-6-[3-[4-[(oxan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;4-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;molecular hydrogen
CID 157139966
2-[4-[6-[5-[2-(2-aminoethylamino)-4-fluorophenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-[2-aminoethyl(methyl)amino]phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[(3S)-morpholin-3-yl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;molecular hydrogen
CID 157169469
2-[4-[5-Amino-6-[5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[4-[5-methyl-6-[3-[4-[(oxolan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;2-methyl-2-[4-[5-methyl-6-[5-[4-(pyrrolidin-2-ylmethylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen
CID 157246247
2-[4-[5-amino-6-[5-(2,3-dihydro-1H-isoindol-5-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-(azetidin-3-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[4-[5-methyl-6-[5-(4-pyrrolidin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen
CID 157287665
8,8-dimethyl-3-(1-pyridin-2-ylimidazol-4-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(4-pyridin-2-ylimidazol-1-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;bis(8,8-dimethyl-3-(5-pyridin-2-yl-1,2-oxazol-3-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one);8,8-dimethyl-3-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 157362711
2-[4-[6-[5-[4-(2-Aminoethylamino)-2-fluorophenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;3-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]-1-azabicyclo[2.2.2]octane-3-carbonitrile;2-methyl-2-[4-[5-methyl-6-[5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen
CID 157481803
2-[4-[5-Amino-6-[5-[4-[(cyclohexylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]acetonitrile;2-[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-3-fluoro-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]acetonitrile;[4-[5-amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]methanol;5-[3-fluoro-2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]-3-[3-[4-[3-(oxetan-3-yl)propyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-amine
CID 158095461
2-[4-[5-amino-6-[5-[3-[(3R)-3-aminopyrrolidin-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-(4-aminopiperidin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[4-[5-methyl-6-[5-[4-[methyl-[2-(methylamino)ethyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]propanenitrile;molecular hydrogen
CID 158154579
8,8-dimethyl-3-(4-pyridin-2-ylimidazol-1-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;bis(8,8-dimethyl-3-(5-pyridin-2-yl-1,2-oxazol-3-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one);bis(8,8-dimethyl-3-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one)
CID 158194161
2-[4-[5-Amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]butanenitrile;2-[4-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-ethylbutanenitrile;2-[4-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-(3-methylthiophen-2-yl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;4-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]oxane-4-carbonitrile;4-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile
CID 158329734
2-[4-[5-Amino-6-[3-[4-[(cyclohexylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-(4-methylphenyl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;4-[4-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;2-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]propanenitrile;bis(2-[4-[5-amino-6-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile)
CID 158345813
2-[4-[5-amino-6-[5-(4-cyclobutyloxyphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;3-[5-[4-(2-aminoethoxy)phenyl]-1,3,4-oxadiazol-2-yl]-5-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]pyrazin-2-amine;N-[4-[5-[3-amino-6-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N',N'-dimethylethane-1,2-diamine;3-[5-[4-(butylamino)phenyl]-1,3,4-oxadiazol-2-yl]-5-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]pyrazin-2-amine;ethyl 2-[4-[5-amino-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]-2-methylpropanoate;5-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]-3-[5-[4-(2-morpholin-4-ylethylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
CID 158361830

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-amino-6-[5-[4-(3-aminobutyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-(cyclohexen-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-[(cyclohexylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[methyl(2-oxopropyl)amino]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[3-(4-methylpiperidin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile?
The IUPAC name of 2-[4-[5-amino-6-[5-[4-(3-aminobutyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-(cyclohexen-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-[(cyclohexylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[methyl(2-oxopropyl)amino]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[3-(4-methylpiperidin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile (CID 158733911) is 2-[4-[5-amino-6-[5-[4-(3-aminobutyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-(cyclohexen-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-[(cyclohexylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[methyl(2-oxopropyl)amino]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[3-(4-methylpiperidin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[4-[5-amino-6-[5-[4-(3-aminobutyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-(cyclohexen-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-[(cyclohexylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[methyl(2-oxopropyl)amino]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[3-(4-methylpiperidin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile?
The canonical SMILES for 2-[4-[5-amino-6-[5-[4-(3-aminobutyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-(cyclohexen-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-[(cyclohexylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[methyl(2-oxopropyl)amino]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[3-(4-methylpiperidin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile is CC(=O)CN(C)c1ccc(-c2cc(-c3nc(-c4ccnc(C(C)(C)C#N)c4)cnc3N)on2)cc1.CC(C)(C#N)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc(C5=CCCCC5)cc4)o3)n2)ccn1.CC(C)(C#N)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc(C5=NCCN5)cc4)o3)n2)ccn1.CC(C)(C#N)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc(CNC5CCCCC5)cc4)o3)n2)ccn1.CC(N)CCc1ccc(-c2nnc(-c3nc(-c4ccnc(C(C)(C)C#N)c4)cnc3N)o2)cc1.CC1CCN(c2cccc(-c3nnc(-c4nc(-c5ccnc(C(C)(C)C#N)c5)cnc4N)o3)c2)CC1.
What is the InChIKey of 2-[4-[5-amino-6-[5-[4-(3-aminobutyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-(cyclohexen-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-[(cyclohexylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[methyl(2-oxopropyl)amino]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[3-(4-methylpiperidin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile?
The InChIKey is ILKYPMBAVSSTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N8O.C27H28N8O.C27H25N7O.C26H25N7O2.C25H26N8O.C24H21N9O/c1-28(2,17-29)23-14-20(12-13-31-23)22-16-33-25(30)24(34-22)27-36-35-26(37-27)19-10-8-18(9-11-19)15-32-21-6-4-3-5-7-21;1-17-8-11-35(12-9-17)20-6-4-5-19(13-20)25-33-34-26(36-25)23-24(29)31-15-21(32-23)18-7-10-30-22(14-18)27(2,3)16-28;1-27(2,16-28)22-14-20(12-13-30-22)21-15-31-24(29)23(32-21)26-34-33-25(35-26)19-10-8-18(9-11-19)17-6-4-3-5-7-17;1-16(34)14-33(4)19-7-5-17(6-8-19)20-12-22(35-32-20)24-25(28)30-13-21(31-24)18-9-10-29-23(11-18)26(2,3)15-27;1-15(27)4-5-16-6-8-17(9-7-16)23-32-33-24(34-23)21-22(28)30-13-19(31-21)18-10-11-29-20(12-18)25(2,3)14-26;1-24(2,13-25)18-11-16(7-8-27-18)17-12-30-20(26)19(31-17)23-33-32-22(34-23)15-5-3-14(4-6-15)21-28-9-10-29-21/h8-14,16,21,32H,3-7,15H2,1-2H3,(H2,30,33);4-7,10,13-15,17H,8-9,11-12H2,1-3H3,(H2,29,31);6,8-15H,3-5,7H2,1-2H3,(H2,29,31);5-13H,14H2,1-4H3,(H2,28,30);6-13,15H,4-5,27H2,1-3H3,(H2,28,30);3-8,11-12H,9-10H2,1-2H3,(H2,26,30)(H,28,29).
What are the key properties of 2-[4-[5-amino-6-[5-[4-(3-aminobutyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-(cyclohexen-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-[(cyclohexylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[methyl(2-oxopropyl)amino]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[3-(4-methylpiperidin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile?
2-[4-[5-amino-6-[5-[4-(3-aminobutyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-(cyclohexen-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-[(cyclohexylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[methyl(2-oxopropyl)amino]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[3-(4-methylpiperidin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile has a molecular weight of 2812.29 g/mol, XLogP of 26.71, 36 rotatable bonds, 9 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-amino-6-[5-[4-(3-aminobutyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-(cyclohexen-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-[(cyclohexylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[methyl(2-oxopropyl)amino]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[3-(4-methylpiperidin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile is sourced from PubChem (CID 158733911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).