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
C188H172N54O9S — CID 158329734
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-[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
SMILESCC(C)(C#N)c1cc(-c2cnc(N)c(-c3cc(-c4ccccc4)no3)n2)ccn1.CCC(C#N)(CC)c1cc(-c2cnc(N)c(-c3cc(-c4ccc(CNC)cc4)no3)n2)ccn1.CCC(C#N)c1cc(-c2cnc(N)c(-c3cc(-c4ccc(CNC)cc4)no3)n2)ccn1.CNCc1ccc(-c2cc(-c3nc(-c4ccnc(C(C)(C)C#N)c4)cnc3N)on2)cc1.CNCc1ccc(-c2nnc(-c3nc(-c4ccnc(C(C)(C)C#N)c4)cnc3N)o2)cc1.Cc1ccsc1-c1cc(-c2nc(-c3ccnc(C(C)(C)C#N)c3)cnc2N)on1.N#CC1(c2cc(-c3cnc(N)c(-c4cc(-c5ccccc5)no4)n3)ccn2)CCNCC1.N#CC1(c2cc(-c3cnc(N)c(-c4cc(-c5ccccc5)no4)n3)ccn2)CCOCC1
InChIInChI=1S/C26H27N7O.C24H21N7O.2C24H23N7O.C24H20N6O2.C23H22N8O.C22H18N6O.C21H18N6OS/c1-4-26(5-2,16-27)23-12-19(10-11-30-23)21-15-31-25(28)24(32-21)22-13-20(33-34-22)18-8-6-17(7-9-18)14-29-3;25-15-24(7-10-27-11-8-24)21-12-17(6-9-28-21)19-14-29-23(26)22(30-19)20-13-18(31-32-20)16-4-2-1-3-5-16;1-24(2,14-25)21-10-17(8-9-28-21)19-13-29-23(26)22(30-19)20-11-18(31-32-20)16-6-4-15(5-7-16)12-27-3;1-3-16(12-25)19-10-18(8-9-28-19)21-14-29-24(26)23(30-21)22-11-20(31-32-22)17-6-4-15(5-7-17)13-27-2;25-15-24(7-10-31-11-8-24)21-12-17(6-9-27-21)19-14-28-23(26)22(29-19)20-13-18(30-32-20)16-4-2-1-3-5-16;1-23(2,13-24)18-10-16(8-9-27-18)17-12-28-20(25)19(29-17)22-31-30-21(32-22)15-6-4-14(5-7-15)11-26-3;1-22(2,13-23)19-10-15(8-9-25-19)17-12-26-21(24)20(27-17)18-11-16(28-29-18)14-6-4-3-5-7-14;1-12-5-7-29-19(12)14-9-16(28-27-14)18-20(23)25-10-15(26-18)13-4-6-24-17(8-13)21(2,3)11-22/h6-13,15,29H,4-5,14H2,1-3H3,(H2,28,31);1-6,9,12-14,27H,7-8,10-11H2,(H2,26,29);4-11,13,27H,12H2,1-3H3,(H2,26,29);4-11,14,16,27H,3,13H2,1-2H3,(H2,26,29);1-6,9,12-14H,7-8,10-11H2,(H2,26,28);4-10,12,26H,11H2,1-3H3,(H2,25,28);3-12H,1-2H3,(H2,24,26);4-10H,1-3H3,(H2,23,25)
InChIKeyGPVYDTGMWDVQEB-UHFFFAOYSA-N
MW3363.88 g/mol
LogP32.70
Rot. Bonds43
About 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
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 (PubChem CID 158329734) has the molecular formula C188H172N54O9S and a molecular weight of 3363.88 g/mol. Its IUPAC name is 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.
Molecular Properties
| Compound Name | 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 |
|---|---|
| PubChem CID | 158329734 |
| Molecular Formula | C188H172N54O9S |
| Molecular Weight | 3363.88 g/mol |
| Exact Mass | 3361.44 |
| IUPAC Name | 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 |
| SMILES | CC(C)(C#N)c1cc(-c2cnc(N)c(-c3cc(-c4ccccc4)no3)n2)ccn1.CCC(C#N)(CC)c1cc(-c2cnc(N)c(-c3cc(-c4ccc(CNC)cc4)no3)n2)ccn1.CCC(C#N)c1cc(-c2cnc(N)c(-c3cc(-c4ccc(CNC)cc4)no3)n2)ccn1.CNCc1ccc(-c2cc(-c3nc(-c4ccnc(C(C)(C)C#N)c4)cnc3N)on2)cc1.CNCc1ccc(-c2nnc(-c3nc(-c4ccnc(C(C)(C)C#N)c4)cnc3N)o2)cc1.Cc1ccsc1-c1cc(-c2nc(-c3ccnc(C(C)(C)C#N)c3)cnc2N)on1.N#CC1(c2cc(-c3cnc(N)c(-c4cc(-c5ccccc5)no4)n3)ccn2)CCNCC1.N#CC1(c2cc(-c3cnc(N)c(-c4cc(-c5ccccc5)no4)n3)ccn2)CCOCC1 |
| InChI | InChI=1S/C26H27N7O.C24H21N7O.2C24H23N7O.C24H20N6O2.C23H22N8O.C22H18N6O.C21H18N6OS/c1-4-26(5-2,16-27)23-12-19(10-11-30-23)21-15-31-25(28)24(32-21)22-13-20(33-34-22)18-8-6-17(7-9-18)14-29-3;25-15-24(7-10-27-11-8-24)21-12-17(6-9-28-21)19-14-29-23(26)22(30-19)20-13-18(31-32-20)16-4-2-1-3-5-16;1-24(2,14-25)21-10-17(8-9-28-21)19-13-29-23(26)22(30-19)20-11-18(31-32-20)16-6-4-15(5-7-16)12-27-3;1-3-16(12-25)19-10-18(8-9-28-19)21-14-29-24(26)23(30-21)22-11-20(31-32-22)17-6-4-15(5-7-17)13-27-2;25-15-24(7-10-31-11-8-24)21-12-17(6-9-27-21)19-14-28-23(26)22(29-19)20-13-18(30-32-20)16-4-2-1-3-5-16;1-23(2,13-24)18-10-16(8-9-27-18)17-12-28-20(25)19(29-17)22-31-30-21(32-22)15-6-4-14(5-7-15)11-26-3;1-22(2,13-23)19-10-15(8-9-25-19)17-12-26-21(24)20(27-17)18-11-16(28-29-18)14-6-4-3-5-7-14;1-12-5-7-29-19(12)14-9-16(28-27-14)18-20(23)25-10-15(26-18)13-4-6-24-17(8-13)21(2,3)11-22/h6-13,15,29H,4-5,14H2,1-3H3,(H2,28,31);1-6,9,12-14,27H,7-8,10-11H2,(H2,26,29);4-11,13,27H,12H2,1-3H3,(H2,26,29);4-11,14,16,27H,3,13H2,1-2H3,(H2,26,29);1-6,9,12-14H,7-8,10-11H2,(H2,26,28);4-10,12,26H,11H2,1-3H3,(H2,25,28);3-12H,1-2H3,(H2,24,26);4-10H,1-3H3,(H2,23,25) |
| InChIKey | GPVYDTGMWDVQEB-UHFFFAOYSA-N |
| XLogP | 32.70 |
| TPSA | 998.35 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 64 |
| Rotatable Bonds | 43 |
| Heavy Atoms | 252 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3363.88 |
| LogP ≤ 5 | 32.70 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 64 |
Frequently Asked Questions
What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C#N)c1cc(-c2cnc(N)c(-c3cc(-c4ccccc4)no3)n2)ccn1.CCC(C#N)(CC)c1cc(-c2cnc(N)c(-c3cc(-c4ccc(CNC)cc4)no3)n2)ccn1.CCC(C#N)c1cc(-c2cnc(N)c(-c3cc(-c4ccc(CNC)cc4)no3)n2)ccn1.CNCc1ccc(-c2cc(-c3nc(-c4ccnc(C(C)(C)C#N)c4)cnc3N)on2)cc1.CNCc1ccc(-c2nnc(-c3nc(-c4ccnc(C(C)(C)C#N)c4)cnc3N)o2)cc1.Cc1ccsc1-c1cc(-c2nc(-c3ccnc(C(C)(C)C#N)c3)cnc2N)on1.N#CC1(c2cc(-c3cnc(N)c(-c4cc(-c5ccccc5)no4)n3)ccn2)CCNCC1.N#CC1(c2cc(-c3cnc(N)c(-c4cc(-c5ccccc5)no4)n3)ccn2)CCOCC1.
What is the InChIKey of 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?
The InChIKey is GPVYDTGMWDVQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O.C24H21N7O.2C24H23N7O.C24H20N6O2.C23H22N8O.C22H18N6O.C21H18N6OS/c1-4-26(5-2,16-27)23-12-19(10-11-30-23)21-15-31-25(28)24(32-21)22-13-20(33-34-22)18-8-6-17(7-9-18)14-29-3;25-15-24(7-10-27-11-8-24)21-12-17(6-9-28-21)19-14-29-23(26)22(30-19)20-13-18(31-32-20)16-4-2-1-3-5-16;1-24(2,14-25)21-10-17(8-9-28-21)19-13-29-23(26)22(30-19)20-11-18(31-32-20)16-6-4-15(5-7-16)12-27-3;1-3-16(12-25)19-10-18(8-9-28-19)21-14-29-24(26)23(30-21)22-11-20(31-32-22)17-6-4-15(5-7-17)13-27-2;25-15-24(7-10-31-11-8-24)21-12-17(6-9-27-21)19-14-28-23(26)22(29-19)20-13-18(30-32-20)16-4-2-1-3-5-16;1-23(2,13-24)18-10-16(8-9-27-18)17-12-28-20(25)19(29-17)22-31-30-21(32-22)15-6-4-14(5-7-15)11-26-3;1-22(2,13-23)19-10-15(8-9-25-19)17-12-26-21(24)20(27-17)18-11-16(28-29-18)14-6-4-3-5-7-14;1-12-5-7-29-19(12)14-9-16(28-27-14)18-20(23)25-10-15(26-18)13-4-6-24-17(8-13)21(2,3)11-22/h6-13,15,29H,4-5,14H2,1-3H3,(H2,28,31);1-6,9,12-14,27H,7-8,10-11H2,(H2,26,29);4-11,13,27H,12H2,1-3H3,(H2,26,29);4-11,14,16,27H,3,13H2,1-2H3,(H2,26,29);1-6,9,12-14H,7-8,10-11H2,(H2,26,28);4-10,12,26H,11H2,1-3H3,(H2,25,28);3-12H,1-2H3,(H2,24,26);4-10H,1-3H3,(H2,23,25).
What are the key properties of 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?
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 has a molecular weight of 3363.88 g/mol, XLogP of 32.70, 43 rotatable bonds, 13 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158329734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158329734 — identifiers, structure, computed properties (public domain)
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