N'-[4-[5-[3-amino-6-[3-(2-methylbut-3-yn-2-yl)phenyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethane-1,2-diamine;2-[4-[5-amino-6-[5-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[(3R)-morpholin-3-yl]phenyl]-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-methyl-N-propylpropanamide;2-[4-[5-amino-6-[5-(3-piperidin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;3-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3,4-oxadiazol-2-yl]-5-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]pyrazin-2-amine

C179H180N50O10 — CID 158520887

IUPACN'-[4-[5-[3-amino-6-[3-(2-methylbut-3-yn-2-yl)phenyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethane-1,2-diamine;2-[4-[5-amino-6-[5-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[(3R)-morpholin-3-yl]phenyl]-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-methyl-N-propylpropanamide;2-[4-[5-amino-6-[5-(3-piperidin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;3-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3,4-oxadiazol-2-yl]-5-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]pyrazin-2-amine
SMILESC#CC(C)(C)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc(OCCN(C)C)cc4)o3)n2)ccn1.C#CC(C)(C)c1cccc(-c2cnc(N)c(-c3nnc(-c4ccc(NCCN)cc4)o3)n2)c1.CC(C)(C#N)c1cc(-c2cnc(N)c(-c3cc(-c4ccc([C@@H]5COCCN5)cc4)no3)n2)ccn1.CC(C)(C#N)c1cc(-c2cnc(N)c(-c3nnc(-c4cccc(C5CCCCN5)c4)o3)n2)ccn1.CCCNC(=O)C(C)(C)c1cc(-c2cnc(N)c(-c3cc(-c4ccccc4)no3)n2)ccn1.CCCc1ccc(-c2nnc(-c3nc(-c4ccnc(C(C)(C)C#N)c4)cnc3N)o2)cc1.C[C@H]1CCCN(c2ccc(-c3nnc(-c4nc(-c5ccnc(C(C)(C)C#N)c5)cnc4N)o3)cc2)C1
InChIInChI=1S/C27H28N8O.C26H26N8O.C26H25N7O2.C26H27N7O2.C25H25N7O.C25H26N6O2.C24H23N7O/c1-17-5-4-12-35(15-17)20-8-6-18(7-9-20)25-33-34-26(36-25)23-24(29)31-14-21(32-23)19-10-11-30-22(13-19)27(2,3)16-28;1-26(2,15-27)21-13-17(9-11-30-21)20-14-31-23(28)22(32-20)25-34-33-24(35-25)18-7-5-6-16(12-18)19-8-3-4-10-29-19;1-26(2,15-27)23-11-18(7-8-30-23)20-13-31-25(28)24(32-20)22-12-19(33-35-22)16-3-5-17(6-4-16)21-14-34-10-9-29-21;1-6-26(2,3)21-15-18(11-12-28-21)20-16-29-23(27)22(30-20)25-32-31-24(35-25)17-7-9-19(10-8-17)34-14-13-33(4)5;1-4-25(2,3)18-7-5-6-17(14-18)20-15-29-22(27)21(30-20)24-32-31-23(33-24)16-8-10-19(11-9-16)28-13-12-26;1-4-11-28-24(32)25(2,3)21-13-17(10-12-27-21)19-15-29-23(26)22(30-19)20-14-18(31-33-20)16-8-6-5-7-9-16;1-4-5-15-6-8-16(9-7-15)22-30-31-23(32-22)20-21(26)28-13-18(29-20)17-10-11-27-19(12-17)24(2,3)14-25/h6-11,13-14,17H,4-5,12,15H2,1-3H3,(H2,29,31);5-7,9,11-14,19,29H,3-4,8,10H2,1-2H3,(H2,28,31);3-8,11-13,21,29H,9-10,14H2,1-2H3,(H2,28,31);1,7-12,15-16H,13-14H2,2-5H3,(H2,27,29);1,5-11,14-15,28H,12-13,26H2,2-3H3,(H2,27,29);5-10,12-15H,4,11H2,1-3H3,(H2,26,29)(H,28,32);6-13H,4-5H2,1-3H3,(H2,26,28)/t17-;;21-;;;;/m0.0..../s1
InChIKeyHMERYBPGVISAIC-MPOSLKTHSA-N
MW3191.75 g/mol
LogP29.49
Rot. Bonds43

About N'-[4-[5-[3-amino-6-[3-(2-methylbut-3-yn-2-yl)phenyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethane-1,2-diamine;2-[4-[5-amino-6-[5-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[(3R)-morpholin-3-yl]phenyl]-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-methyl-N-propylpropanamide;2-[4-[5-amino-6-[5-(3-piperidin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;3-[5-[4-[2-(dimethylamino)ethoxy]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-[3-(2-methylbut-3-yn-2-yl)phenyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethane-1,2-diamine;2-[4-[5-amino-6-[5-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[(3R)-morpholin-3-yl]phenyl]-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-methyl-N-propylpropanamide;2-[4-[5-amino-6-[5-(3-piperidin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;3-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3,4-oxadiazol-2-yl]-5-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]pyrazin-2-amine (PubChem CID 158520887) has the molecular formula C179H180N50O10 and a molecular weight of 3191.75 g/mol. Its IUPAC name is N'-[4-[5-[3-amino-6-[3-(2-methylbut-3-yn-2-yl)phenyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethane-1,2-diamine;2-[4-[5-amino-6-[5-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[(3R)-morpholin-3-yl]phenyl]-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-methyl-N-propylpropanamide;2-[4-[5-amino-6-[5-(3-piperidin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;3-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3,4-oxadiazol-2-yl]-5-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]pyrazin-2-amine.

Molecular Properties

Compound NameN'-[4-[5-[3-amino-6-[3-(2-methylbut-3-yn-2-yl)phenyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethane-1,2-diamine;2-[4-[5-amino-6-[5-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[(3R)-morpholin-3-yl]phenyl]-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-methyl-N-propylpropanamide;2-[4-[5-amino-6-[5-(3-piperidin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;3-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3,4-oxadiazol-2-yl]-5-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]pyrazin-2-amine
PubChem CID158520887
Molecular FormulaC179H180N50O10
Molecular Weight3191.75 g/mol
Exact Mass3189.51
IUPAC NameN'-[4-[5-[3-amino-6-[3-(2-methylbut-3-yn-2-yl)phenyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethane-1,2-diamine;2-[4-[5-amino-6-[5-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[(3R)-morpholin-3-yl]phenyl]-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-methyl-N-propylpropanamide;2-[4-[5-amino-6-[5-(3-piperidin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;3-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3,4-oxadiazol-2-yl]-5-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]pyrazin-2-amine
SMILESC#CC(C)(C)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc(OCCN(C)C)cc4)o3)n2)ccn1.C#CC(C)(C)c1cccc(-c2cnc(N)c(-c3nnc(-c4ccc(NCCN)cc4)o3)n2)c1.CC(C)(C#N)c1cc(-c2cnc(N)c(-c3cc(-c4ccc([C@@H]5COCCN5)cc4)no3)n2)ccn1.CC(C)(C#N)c1cc(-c2cnc(N)c(-c3nnc(-c4cccc(C5CCCCN5)c4)o3)n2)ccn1.CCCNC(=O)C(C)(C)c1cc(-c2cnc(N)c(-c3cc(-c4ccccc4)no3)n2)ccn1.CCCc1ccc(-c2nnc(-c3nc(-c4ccnc(C(C)(C)C#N)c4)cnc3N)o2)cc1.C[C@H]1CCCN(c2ccc(-c3nnc(-c4nc(-c5ccnc(C(C)(C)C#N)c5)cnc4N)o3)cc2)C1
InChIInChI=1S/C27H28N8O.C26H26N8O.C26H25N7O2.C26H27N7O2.C25H25N7O.C25H26N6O2.C24H23N7O/c1-17-5-4-12-35(15-17)20-8-6-18(7-9-20)25-33-34-26(36-25)23-24(29)31-14-21(32-23)19-10-11-30-22(13-19)27(2,3)16-28;1-26(2,15-27)21-13-17(9-11-30-21)20-14-31-23(28)22(32-20)25-34-33-24(35-25)18-7-5-6-16(12-18)19-8-3-4-10-29-19;1-26(2,15-27)23-11-18(7-8-30-23)20-13-31-25(28)24(32-20)22-12-19(33-35-22)16-3-5-17(6-4-16)21-14-34-10-9-29-21;1-6-26(2,3)21-15-18(11-12-28-21)20-16-29-23(27)22(30-20)25-32-31-24(35-25)17-7-9-19(10-8-17)34-14-13-33(4)5;1-4-25(2,3)18-7-5-6-17(14-18)20-15-29-22(27)21(30-20)24-32-31-23(33-24)16-8-10-19(11-9-16)28-13-12-26;1-4-11-28-24(32)25(2,3)21-13-17(10-12-27-21)19-15-29-23(26)22(30-19)20-14-18(31-33-20)16-8-6-5-7-9-16;1-4-5-15-6-8-16(9-7-15)22-30-31-23(32-22)20-21(26)28-13-18(29-20)17-10-11-27-19(12-17)24(2,3)14-25/h6-11,13-14,17H,4-5,12,15H2,1-3H3,(H2,29,31);5-7,9,11-14,19,29H,3-4,8,10H2,1-2H3,(H2,28,31);3-8,11-13,21,29H,9-10,14H2,1-2H3,(H2,28,31);1,7-12,15-16H,13-14H2,2-5H3,(H2,27,29);1,5-11,14-15,28H,12-13,26H2,2-3H3,(H2,27,29);5-10,12-15H,4,11H2,1-3H3,(H2,26,29)(H,28,32);6-13H,4-5H2,1-3H3,(H2,26,28)/t17-;;21-;;;;/m0.0..../s1
InChIKeyHMERYBPGVISAIC-MPOSLKTHSA-N
XLogP29.49
TPSA897.91 Ų
H-Bond Donors12
H-Bond Acceptors59
Rotatable Bonds43
Heavy Atoms239
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003191.75
LogP ≤ 529.49
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1059

Computed Properties (RDKit)

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

Analyze N'-[4-[5-[3-amino-6-[3-(2-methylbut-3-yn-2-yl)phenyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethane-1,2-diamine;2-[4-[5-amino-6-[5-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[(3R)-morpholin-3-yl]phenyl]-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-methyl-N-propylpropanamide;2-[4-[5-amino-6-[5-(3-piperidin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;3-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3,4-oxadiazol-2-yl]-5-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]pyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[4-[5-[3-amino-6-[3-(2-methylbut-3-yn-2-yl)phenyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethane-1,2-diamine;2-[4-[5-amino-6-[5-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[(3R)-morpholin-3-yl]phenyl]-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-methyl-N-propylpropanamide;2-[4-[5-amino-6-[5-(3-piperidin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;3-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3,4-oxadiazol-2-yl]-5-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]pyrazin-2-amine?
The IUPAC name of N'-[4-[5-[3-amino-6-[3-(2-methylbut-3-yn-2-yl)phenyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethane-1,2-diamine;2-[4-[5-amino-6-[5-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[(3R)-morpholin-3-yl]phenyl]-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-methyl-N-propylpropanamide;2-[4-[5-amino-6-[5-(3-piperidin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;3-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3,4-oxadiazol-2-yl]-5-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]pyrazin-2-amine (CID 158520887) is N'-[4-[5-[3-amino-6-[3-(2-methylbut-3-yn-2-yl)phenyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethane-1,2-diamine;2-[4-[5-amino-6-[5-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[(3R)-morpholin-3-yl]phenyl]-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-methyl-N-propylpropanamide;2-[4-[5-amino-6-[5-(3-piperidin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;3-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3,4-oxadiazol-2-yl]-5-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]pyrazin-2-amine.
What is the SMILES notation for N'-[4-[5-[3-amino-6-[3-(2-methylbut-3-yn-2-yl)phenyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethane-1,2-diamine;2-[4-[5-amino-6-[5-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[(3R)-morpholin-3-yl]phenyl]-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-methyl-N-propylpropanamide;2-[4-[5-amino-6-[5-(3-piperidin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;3-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3,4-oxadiazol-2-yl]-5-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]pyrazin-2-amine?
The canonical SMILES for N'-[4-[5-[3-amino-6-[3-(2-methylbut-3-yn-2-yl)phenyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethane-1,2-diamine;2-[4-[5-amino-6-[5-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[(3R)-morpholin-3-yl]phenyl]-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-methyl-N-propylpropanamide;2-[4-[5-amino-6-[5-(3-piperidin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;3-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3,4-oxadiazol-2-yl]-5-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]pyrazin-2-amine is C#CC(C)(C)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc(OCCN(C)C)cc4)o3)n2)ccn1.C#CC(C)(C)c1cccc(-c2cnc(N)c(-c3nnc(-c4ccc(NCCN)cc4)o3)n2)c1.CC(C)(C#N)c1cc(-c2cnc(N)c(-c3cc(-c4ccc([C@@H]5COCCN5)cc4)no3)n2)ccn1.CC(C)(C#N)c1cc(-c2cnc(N)c(-c3nnc(-c4cccc(C5CCCCN5)c4)o3)n2)ccn1.CCCNC(=O)C(C)(C)c1cc(-c2cnc(N)c(-c3cc(-c4ccccc4)no3)n2)ccn1.CCCc1ccc(-c2nnc(-c3nc(-c4ccnc(C(C)(C)C#N)c4)cnc3N)o2)cc1.C[C@H]1CCCN(c2ccc(-c3nnc(-c4nc(-c5ccnc(C(C)(C)C#N)c5)cnc4N)o3)cc2)C1.
What is the InChIKey of N'-[4-[5-[3-amino-6-[3-(2-methylbut-3-yn-2-yl)phenyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethane-1,2-diamine;2-[4-[5-amino-6-[5-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[(3R)-morpholin-3-yl]phenyl]-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-methyl-N-propylpropanamide;2-[4-[5-amino-6-[5-(3-piperidin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;3-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3,4-oxadiazol-2-yl]-5-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]pyrazin-2-amine?
The InChIKey is HMERYBPGVISAIC-MPOSLKTHSA-N. The full InChI is InChI=1S/C27H28N8O.C26H26N8O.C26H25N7O2.C26H27N7O2.C25H25N7O.C25H26N6O2.C24H23N7O/c1-17-5-4-12-35(15-17)20-8-6-18(7-9-20)25-33-34-26(36-25)23-24(29)31-14-21(32-23)19-10-11-30-22(13-19)27(2,3)16-28;1-26(2,15-27)21-13-17(9-11-30-21)20-14-31-23(28)22(32-20)25-34-33-24(35-25)18-7-5-6-16(12-18)19-8-3-4-10-29-19;1-26(2,15-27)23-11-18(7-8-30-23)20-13-31-25(28)24(32-20)22-12-19(33-35-22)16-3-5-17(6-4-16)21-14-34-10-9-29-21;1-6-26(2,3)21-15-18(11-12-28-21)20-16-29-23(27)22(30-20)25-32-31-24(35-25)17-7-9-19(10-8-17)34-14-13-33(4)5;1-4-25(2,3)18-7-5-6-17(14-18)20-15-29-22(27)21(30-20)24-32-31-23(33-24)16-8-10-19(11-9-16)28-13-12-26;1-4-11-28-24(32)25(2,3)21-13-17(10-12-27-21)19-15-29-23(26)22(30-19)20-14-18(31-33-20)16-8-6-5-7-9-16;1-4-5-15-6-8-16(9-7-15)22-30-31-23(32-22)20-21(26)28-13-18(29-20)17-10-11-27-19(12-17)24(2,3)14-25/h6-11,13-14,17H,4-5,12,15H2,1-3H3,(H2,29,31);5-7,9,11-14,19,29H,3-4,8,10H2,1-2H3,(H2,28,31);3-8,11-13,21,29H,9-10,14H2,1-2H3,(H2,28,31);1,7-12,15-16H,13-14H2,2-5H3,(H2,27,29);1,5-11,14-15,28H,12-13,26H2,2-3H3,(H2,27,29);5-10,12-15H,4,11H2,1-3H3,(H2,26,29)(H,28,32);6-13H,4-5H2,1-3H3,(H2,26,28)/t17-;;21-;;;;/m0.0..../s1.
What are the key properties of N'-[4-[5-[3-amino-6-[3-(2-methylbut-3-yn-2-yl)phenyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethane-1,2-diamine;2-[4-[5-amino-6-[5-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[(3R)-morpholin-3-yl]phenyl]-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-methyl-N-propylpropanamide;2-[4-[5-amino-6-[5-(3-piperidin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;3-[5-[4-[2-(dimethylamino)ethoxy]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-[3-(2-methylbut-3-yn-2-yl)phenyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethane-1,2-diamine;2-[4-[5-amino-6-[5-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[(3R)-morpholin-3-yl]phenyl]-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-methyl-N-propylpropanamide;2-[4-[5-amino-6-[5-(3-piperidin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;3-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3,4-oxadiazol-2-yl]-5-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]pyrazin-2-amine has a molecular weight of 3191.75 g/mol, XLogP of 29.49, 43 rotatable bonds, 12 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[5-[3-amino-6-[3-(2-methylbut-3-yn-2-yl)phenyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethane-1,2-diamine;2-[4-[5-amino-6-[5-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[(3R)-morpholin-3-yl]phenyl]-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-methyl-N-propylpropanamide;2-[4-[5-amino-6-[5-(3-piperidin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;3-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3,4-oxadiazol-2-yl]-5-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]pyrazin-2-amine is sourced from PubChem (CID 158520887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).