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

C153H154N42O11 — CID 158361830

IUPAC2-[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
SMILESC#CC(C)(C)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc(NCCCC)cc4)o3)n2)ccn1.C#CC(C)(C)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc(NCCN(C)C)cc4)o3)n2)ccn1.C#CC(C)(C)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc(NCCN5CCOCC5)cc4)o3)n2)ccn1.C#CC(C)(C)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc(OCCN)cc4)o3)n2)ccn1.CC(C)(C#N)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc(OC5CCC5)cc4)o3)n2)ccn1.CCOC(=O)C(C)(C)c1cc(-c2cnc(N)c(-c3cc(-c4ccccc4)no3)n2)ccn1
InChIInChI=1S/C28H30N8O2.C26H28N8O.C26H27N7O.C25H23N7O2.C24H23N7O2.C24H23N5O3/c1-4-28(2,3)23-17-20(9-10-31-23)22-18-32-25(29)24(33-22)27-35-34-26(38-27)19-5-7-21(8-6-19)30-11-12-36-13-15-37-16-14-36;1-6-26(2,3)21-15-18(11-12-29-21)20-16-30-23(27)22(31-20)25-33-32-24(35-25)17-7-9-19(10-8-17)28-13-14-34(4)5;1-5-7-13-28-19-10-8-17(9-11-19)24-32-33-25(34-24)22-23(27)30-16-20(31-22)18-12-14-29-21(15-18)26(3,4)6-2;1-25(2,14-26)20-12-16(10-11-28-20)19-13-29-22(27)21(30-19)24-32-31-23(34-24)15-6-8-18(9-7-15)33-17-4-3-5-17;1-4-24(2,3)19-13-16(9-11-27-19)18-14-28-21(26)20(29-18)23-31-30-22(33-23)15-5-7-17(8-6-15)32-12-10-25;1-4-31-23(30)24(2,3)20-12-16(10-11-26-20)18-14-27-22(25)21(28-18)19-13-17(29-32-19)15-8-6-5-7-9-15/h1,5-10,17-18,30H,11-16H2,2-3H3,(H2,29,32);1,7-12,15-16,28H,13-14H2,2-5H3,(H2,27,30);2,8-12,14-16,28H,5,7,13H2,1,3-4H3,(H2,27,30);6-13,17H,3-5H2,1-2H3,(H2,27,29);1,5-9,11,13-14H,10,12,25H2,2-3H3,(H2,26,28);5-14H,4H2,1-3H3,(H2,25,27)
InChIKeyGTOIIYZTHYWVER-UHFFFAOYSA-N
MW2757.20 g/mol
LogP24.12
Rot. Bonds43

About 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

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 (PubChem CID 158361830) has the molecular formula C153H154N42O11 and a molecular weight of 2757.20 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID158361830
Molecular FormulaC153H154N42O11
Molecular Weight2757.20 g/mol
Exact Mass2755.28
IUPAC Name2-[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
SMILESC#CC(C)(C)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc(NCCCC)cc4)o3)n2)ccn1.C#CC(C)(C)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc(NCCN(C)C)cc4)o3)n2)ccn1.C#CC(C)(C)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc(NCCN5CCOCC5)cc4)o3)n2)ccn1.C#CC(C)(C)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc(OCCN)cc4)o3)n2)ccn1.CC(C)(C#N)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc(OC5CCC5)cc4)o3)n2)ccn1.CCOC(=O)C(C)(C)c1cc(-c2cnc(N)c(-c3cc(-c4ccccc4)no3)n2)ccn1
InChIInChI=1S/C28H30N8O2.C26H28N8O.C26H27N7O.C25H23N7O2.C24H23N7O2.C24H23N5O3/c1-4-28(2,3)23-17-20(9-10-31-23)22-18-32-25(29)24(33-22)27-35-34-26(38-27)19-5-7-21(8-6-19)30-11-12-36-13-15-37-16-14-36;1-6-26(2,3)21-15-18(11-12-29-21)20-16-30-23(27)22(31-20)25-33-32-24(35-25)17-7-9-19(10-8-17)28-13-14-34(4)5;1-5-7-13-28-19-10-8-17(9-11-19)24-32-33-25(34-24)22-23(27)30-16-20(31-22)18-12-14-29-21(15-18)26(3,4)6-2;1-25(2,14-26)20-12-16(10-11-28-20)19-13-29-22(27)21(30-19)24-32-31-23(34-24)15-6-8-18(9-7-15)33-17-4-3-5-17;1-4-24(2,3)19-13-16(9-11-27-19)18-14-28-21(26)20(29-18)23-31-30-22(33-23)15-5-7-17(8-6-15)32-12-10-25;1-4-31-23(30)24(2,3)20-12-16(10-11-26-20)18-14-27-22(25)21(28-18)19-13-17(29-32-19)15-8-6-5-7-9-15/h1,5-10,17-18,30H,11-16H2,2-3H3,(H2,29,32);1,7-12,15-16,28H,13-14H2,2-5H3,(H2,27,30);2,8-12,14-16,28H,5,7,13H2,1,3-4H3,(H2,27,30);6-13,17H,3-5H2,1-2H3,(H2,27,29);1,5-9,11,13-14H,10,12,25H2,2-3H3,(H2,26,28);5-14H,4H2,1-3H3,(H2,25,27)
InChIKeyGTOIIYZTHYWVER-UHFFFAOYSA-N
XLogP24.12
TPSA755.14 Ų
H-Bond Donors10
H-Bond Acceptors53
Rotatable Bonds43
Heavy Atoms206
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002757.20
LogP ≤ 524.12
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1053

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C#CC(C)(C)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc(NCCCC)cc4)o3)n2)ccn1.C#CC(C)(C)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc(NCCN(C)C)cc4)o3)n2)ccn1.C#CC(C)(C)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc(NCCN5CCOCC5)cc4)o3)n2)ccn1.C#CC(C)(C)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc(OCCN)cc4)o3)n2)ccn1.CC(C)(C#N)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc(OC5CCC5)cc4)o3)n2)ccn1.CCOC(=O)C(C)(C)c1cc(-c2cnc(N)c(-c3cc(-c4ccccc4)no3)n2)ccn1.
What is the InChIKey of 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?
The InChIKey is GTOIIYZTHYWVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N8O2.C26H28N8O.C26H27N7O.C25H23N7O2.C24H23N7O2.C24H23N5O3/c1-4-28(2,3)23-17-20(9-10-31-23)22-18-32-25(29)24(33-22)27-35-34-26(38-27)19-5-7-21(8-6-19)30-11-12-36-13-15-37-16-14-36;1-6-26(2,3)21-15-18(11-12-29-21)20-16-30-23(27)22(31-20)25-33-32-24(35-25)17-7-9-19(10-8-17)28-13-14-34(4)5;1-5-7-13-28-19-10-8-17(9-11-19)24-32-33-25(34-24)22-23(27)30-16-20(31-22)18-12-14-29-21(15-18)26(3,4)6-2;1-25(2,14-26)20-12-16(10-11-28-20)19-13-29-22(27)21(30-19)24-32-31-23(34-24)15-6-8-18(9-7-15)33-17-4-3-5-17;1-4-24(2,3)19-13-16(9-11-27-19)18-14-28-21(26)20(29-18)23-31-30-22(33-23)15-5-7-17(8-6-15)32-12-10-25;1-4-31-23(30)24(2,3)20-12-16(10-11-26-20)18-14-27-22(25)21(28-18)19-13-17(29-32-19)15-8-6-5-7-9-15/h1,5-10,17-18,30H,11-16H2,2-3H3,(H2,29,32);1,7-12,15-16,28H,13-14H2,2-5H3,(H2,27,30);2,8-12,14-16,28H,5,7,13H2,1,3-4H3,(H2,27,30);6-13,17H,3-5H2,1-2H3,(H2,27,29);1,5-9,11,13-14H,10,12,25H2,2-3H3,(H2,26,28);5-14H,4H2,1-3H3,(H2,25,27).
What are the key properties of 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?
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 has a molecular weight of 2757.20 g/mol, XLogP of 24.12, 43 rotatable bonds, 10 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158361830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).