2-[4-[5-amino-6-[5-[4-(cyclobutylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-(4-cyclohexylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[2-[2-(dimethylamino)ethylamino]-4-fluorophenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[3-(3-methylazetidin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;5-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]-3-[5-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine

C150H146FN47O7S — CID 158292668

IUPAC2-[4-[5-amino-6-[5-[4-(cyclobutylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-(4-cyclohexylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[2-[2-(dimethylamino)ethylamino]-4-fluorophenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[3-(3-methylazetidin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;5-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]-3-[5-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
SMILESC#CC(C)(C)c1cc(-c2cnc(N)c(-c3nnc(-c4cc5c(s4)CNCC5)o3)n2)ccn1.CC(C)(C#N)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc(C5CCCCC5)cc4)o3)n2)ccn1.CC(C)(C#N)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc(NC5CCC5)cc4)o3)n2)ccn1.CC(C)(C#N)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc(O[C@H]5CCNC5)cc4)o3)n2)ccn1.CC1CN(c2cccc(-c3nnc(-c4nc(-c5ccnc(C(C)(C)C#N)c5)cnc4N)o3)c2)C1.CN(C)CCNc1cc(F)ccc1-c1nnc(-c2nc(-c3ccnc(C(C)(C)C#N)c3)cnc2N)o1
InChIInChI=1S/C27H27N7O.C25H26FN9O.C25H24N8O2.2C25H24N8O.C23H21N7OS/c1-27(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;1-25(2,14-27)20-11-15(7-8-30-20)19-13-31-22(28)21(32-19)24-34-33-23(36-24)17-6-5-16(26)12-18(17)29-9-10-35(3)4;1-25(2,14-26)20-11-16(7-10-29-20)19-13-30-22(27)21(31-19)24-33-32-23(35-24)15-3-5-17(6-4-15)34-18-8-9-28-12-18;1-15-12-33(13-15)18-6-4-5-17(9-18)23-31-32-24(34-23)21-22(27)29-11-19(30-21)16-7-8-28-20(10-16)25(2,3)14-26;1-25(2,14-26)20-12-16(10-11-28-20)19-13-29-22(27)21(31-19)24-33-32-23(34-24)15-6-8-18(9-7-15)30-17-4-3-5-17;1-4-23(2,3)18-10-13(6-8-26-18)15-11-27-20(24)19(28-15)22-30-29-21(31-22)16-9-14-5-7-25-12-17(14)32-16/h8-15,17H,3-7H2,1-2H3,(H2,29,31);5-8,11-13,29H,9-10H2,1-4H3,(H2,28,31);3-7,10-11,13,18,28H,8-9,12H2,1-2H3,(H2,27,30);4-11,15H,12-13H2,1-3H3,(H2,27,29);6-13,17,30H,3-5H2,1-2H3,(H2,27,29);1,6,8-11,25H,5,7,12H2,2-3H3,(H2,24,27)/t;;18-;;;/m..0.../s1
InChIKeyGLNVYVUSEBHQSH-NXBHYKBPSA-N
MW2770.20 g/mol
LogP24.97
Rot. Bonds34

About 2-[4-[5-amino-6-[5-[4-(cyclobutylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-(4-cyclohexylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[2-[2-(dimethylamino)ethylamino]-4-fluorophenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[3-(3-methylazetidin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;5-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]-3-[5-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine

2-[4-[5-amino-6-[5-[4-(cyclobutylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-(4-cyclohexylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[2-[2-(dimethylamino)ethylamino]-4-fluorophenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[3-(3-methylazetidin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;5-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]-3-[5-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine (PubChem CID 158292668) has the molecular formula C150H146FN47O7S and a molecular weight of 2770.20 g/mol. Its IUPAC name is 2-[4-[5-amino-6-[5-[4-(cyclobutylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-(4-cyclohexylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[2-[2-(dimethylamino)ethylamino]-4-fluorophenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[3-(3-methylazetidin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;5-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]-3-[5-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine.

Molecular Properties

Compound Name2-[4-[5-amino-6-[5-[4-(cyclobutylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-(4-cyclohexylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[2-[2-(dimethylamino)ethylamino]-4-fluorophenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[3-(3-methylazetidin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;5-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]-3-[5-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
PubChem CID158292668
Molecular FormulaC150H146FN47O7S
Molecular Weight2770.20 g/mol
Exact Mass2768.22
IUPAC Name2-[4-[5-amino-6-[5-[4-(cyclobutylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-(4-cyclohexylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[2-[2-(dimethylamino)ethylamino]-4-fluorophenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[3-(3-methylazetidin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;5-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]-3-[5-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
SMILESC#CC(C)(C)c1cc(-c2cnc(N)c(-c3nnc(-c4cc5c(s4)CNCC5)o3)n2)ccn1.CC(C)(C#N)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc(C5CCCCC5)cc4)o3)n2)ccn1.CC(C)(C#N)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc(NC5CCC5)cc4)o3)n2)ccn1.CC(C)(C#N)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc(O[C@H]5CCNC5)cc4)o3)n2)ccn1.CC1CN(c2cccc(-c3nnc(-c4nc(-c5ccnc(C(C)(C)C#N)c5)cnc4N)o3)c2)C1.CN(C)CCNc1cc(F)ccc1-c1nnc(-c2nc(-c3ccnc(C(C)(C)C#N)c3)cnc2N)o1
InChIInChI=1S/C27H27N7O.C25H26FN9O.C25H24N8O2.2C25H24N8O.C23H21N7OS/c1-27(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;1-25(2,14-27)20-11-15(7-8-30-20)19-13-31-22(28)21(32-19)24-34-33-23(36-24)17-6-5-16(26)12-18(17)29-9-10-35(3)4;1-25(2,14-26)20-11-16(7-10-29-20)19-13-30-22(27)21(31-19)24-33-32-23(35-24)15-3-5-17(6-4-15)34-18-8-9-28-12-18;1-15-12-33(13-15)18-6-4-5-17(9-18)23-31-32-24(34-23)21-22(27)29-11-19(30-21)16-7-8-28-20(10-16)25(2,3)14-26;1-25(2,14-26)20-12-16(10-11-28-20)19-13-29-22(27)21(31-19)24-33-32-23(34-24)15-6-8-18(9-7-15)30-17-4-3-5-17;1-4-23(2,3)18-10-13(6-8-26-18)15-11-27-20(24)19(28-15)22-30-29-21(31-22)16-9-14-5-7-25-12-17(14)32-16/h8-15,17H,3-7H2,1-2H3,(H2,29,31);5-8,11-13,29H,9-10H2,1-4H3,(H2,28,31);3-7,10-11,13,18,28H,8-9,12H2,1-2H3,(H2,27,30);4-11,15H,12-13H2,1-3H3,(H2,27,29);6-13,17,30H,3-5H2,1-2H3,(H2,27,29);1,6,8-11,25H,5,7,12H2,2-3H3,(H2,24,27)/t;;18-;;;/m..0.../s1
InChIKeyGLNVYVUSEBHQSH-NXBHYKBPSA-N
XLogP24.97
TPSA804.44 Ų
H-Bond Donors10
H-Bond Acceptors55
Rotatable Bonds34
Heavy Atoms206
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002770.20
LogP ≤ 524.97
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1055

Computed Properties (RDKit)

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

Analyze 2-[4-[5-amino-6-[5-[4-(cyclobutylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-(4-cyclohexylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[2-[2-(dimethylamino)ethylamino]-4-fluorophenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[3-(3-methylazetidin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;5-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]-3-[5-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-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-(cyclobutylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-(4-cyclohexylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[2-[2-(dimethylamino)ethylamino]-4-fluorophenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[3-(3-methylazetidin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;5-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]-3-[5-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?
The IUPAC name of 2-[4-[5-amino-6-[5-[4-(cyclobutylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-(4-cyclohexylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[2-[2-(dimethylamino)ethylamino]-4-fluorophenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[3-(3-methylazetidin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;5-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]-3-[5-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine (CID 158292668) is 2-[4-[5-amino-6-[5-[4-(cyclobutylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-(4-cyclohexylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[2-[2-(dimethylamino)ethylamino]-4-fluorophenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[3-(3-methylazetidin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;5-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]-3-[5-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine.
What is the SMILES notation for 2-[4-[5-amino-6-[5-[4-(cyclobutylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-(4-cyclohexylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[2-[2-(dimethylamino)ethylamino]-4-fluorophenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[3-(3-methylazetidin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;5-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]-3-[5-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?
The canonical SMILES for 2-[4-[5-amino-6-[5-[4-(cyclobutylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-(4-cyclohexylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[2-[2-(dimethylamino)ethylamino]-4-fluorophenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[3-(3-methylazetidin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;5-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]-3-[5-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine is C#CC(C)(C)c1cc(-c2cnc(N)c(-c3nnc(-c4cc5c(s4)CNCC5)o3)n2)ccn1.CC(C)(C#N)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc(C5CCCCC5)cc4)o3)n2)ccn1.CC(C)(C#N)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc(NC5CCC5)cc4)o3)n2)ccn1.CC(C)(C#N)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc(O[C@H]5CCNC5)cc4)o3)n2)ccn1.CC1CN(c2cccc(-c3nnc(-c4nc(-c5ccnc(C(C)(C)C#N)c5)cnc4N)o3)c2)C1.CN(C)CCNc1cc(F)ccc1-c1nnc(-c2nc(-c3ccnc(C(C)(C)C#N)c3)cnc2N)o1.
What is the InChIKey of 2-[4-[5-amino-6-[5-[4-(cyclobutylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-(4-cyclohexylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[2-[2-(dimethylamino)ethylamino]-4-fluorophenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[3-(3-methylazetidin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;5-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]-3-[5-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?
The InChIKey is GLNVYVUSEBHQSH-NXBHYKBPSA-N. The full InChI is InChI=1S/C27H27N7O.C25H26FN9O.C25H24N8O2.2C25H24N8O.C23H21N7OS/c1-27(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;1-25(2,14-27)20-11-15(7-8-30-20)19-13-31-22(28)21(32-19)24-34-33-23(36-24)17-6-5-16(26)12-18(17)29-9-10-35(3)4;1-25(2,14-26)20-11-16(7-10-29-20)19-13-30-22(27)21(31-19)24-33-32-23(35-24)15-3-5-17(6-4-15)34-18-8-9-28-12-18;1-15-12-33(13-15)18-6-4-5-17(9-18)23-31-32-24(34-23)21-22(27)29-11-19(30-21)16-7-8-28-20(10-16)25(2,3)14-26;1-25(2,14-26)20-12-16(10-11-28-20)19-13-29-22(27)21(31-19)24-33-32-23(34-24)15-6-8-18(9-7-15)30-17-4-3-5-17;1-4-23(2,3)18-10-13(6-8-26-18)15-11-27-20(24)19(28-15)22-30-29-21(31-22)16-9-14-5-7-25-12-17(14)32-16/h8-15,17H,3-7H2,1-2H3,(H2,29,31);5-8,11-13,29H,9-10H2,1-4H3,(H2,28,31);3-7,10-11,13,18,28H,8-9,12H2,1-2H3,(H2,27,30);4-11,15H,12-13H2,1-3H3,(H2,27,29);6-13,17,30H,3-5H2,1-2H3,(H2,27,29);1,6,8-11,25H,5,7,12H2,2-3H3,(H2,24,27)/t;;18-;;;/m..0.../s1.
What are the key properties of 2-[4-[5-amino-6-[5-[4-(cyclobutylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-(4-cyclohexylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[2-[2-(dimethylamino)ethylamino]-4-fluorophenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[3-(3-methylazetidin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;5-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]-3-[5-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?
2-[4-[5-amino-6-[5-[4-(cyclobutylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-(4-cyclohexylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[2-[2-(dimethylamino)ethylamino]-4-fluorophenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[3-(3-methylazetidin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;5-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]-3-[5-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine has a molecular weight of 2770.20 g/mol, XLogP of 24.97, 34 rotatable bonds, 10 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-amino-6-[5-[4-(cyclobutylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-(4-cyclohexylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[2-[2-(dimethylamino)ethylamino]-4-fluorophenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[3-(3-methylazetidin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;5-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]-3-[5-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine is sourced from PubChem (CID 158292668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).