2-[4-[5-amino-6-[5-[4-(cyclobutylmethylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;N-[4-[5-[3-amino-6-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]-N',N'-dimethylethane-1,2-diamine;2-[4-[5-amino-6-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-(4-morpholin-3-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;4-[4-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;5-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]-3-[5-[4-[3-(oxetan-3-yl)propyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[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

C182H181FN52O10S — CID 160669659

IUPAC2-[4-[5-amino-6-[5-[4-(cyclobutylmethylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;N-[4-[5-[3-amino-6-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]-N',N'-dimethylethane-1,2-diamine;2-[4-[5-amino-6-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-(4-morpholin-3-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;4-[4-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;5-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]-3-[5-[4-[3-(oxetan-3-yl)propyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[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
SMILESC#CC(C)(C)c1cc(-c2cnc(N)c(-c3cc(-c4ccc(CCCC5COC5)cc4)no3)n2)ccn1.C#CC(C)(C)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc(CCCC5COC5)cc4)o3)n2)ccn1.C#CC(C)(C)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc(NCCN(C)C)cc4F)o3)n2)ccn1.CC(C)(C#N)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc(C5COCCN5)cc4)o3)n2)ccn1.CC(C)(C#N)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc(NCC5CCC5)cc4)o3)n2)ccn1.CN1CCN(Cc2ccc(-c3nnc(-c4nc(-c5ccnc(C(C)(C)C#N)c5)cnc4N)o3)cc2)CC1.N#CC1(c2cc(-c3cnc(N)c(-c4nnc(-c5cccs5)o4)n3)ccn2)CCNCC1
InChIInChI=1S/C29H29N5O2.C28H28N6O2.C27H29N9O.C26H27FN8O.C26H26N8O.C25H24N8O2.C21H18N8OS/c1-4-29(2,3)26-14-22(12-13-31-26)24-16-32-28(30)27(33-24)25-15-23(34-36-25)21-10-8-19(9-11-21)6-5-7-20-17-35-18-20;1-4-28(2,3)23-14-21(12-13-30-23)22-15-31-25(29)24(32-22)27-34-33-26(36-27)20-10-8-18(9-11-20)6-5-7-19-16-35-17-19;1-27(2,17-28)22-14-20(8-9-30-22)21-15-31-24(29)23(32-21)26-34-33-25(37-26)19-6-4-18(5-7-19)16-36-12-10-35(3)11-13-36;1-6-26(2,3)21-13-16(9-10-30-21)20-15-31-23(28)22(32-20)25-34-33-24(36-25)18-8-7-17(14-19(18)27)29-11-12-35(4)5;1-26(2,15-27)21-12-18(10-11-29-21)20-14-31-23(28)22(32-20)25-34-33-24(35-25)17-6-8-19(9-7-17)30-13-16-4-3-5-16;1-25(2,14-26)20-11-17(7-8-29-20)18-12-30-22(27)21(31-18)24-33-32-23(35-24)16-5-3-15(4-6-16)19-13-34-10-9-28-19;22-12-21(4-7-24-8-5-21)16-10-13(3-6-25-16)14-11-26-18(23)17(27-14)20-29-28-19(30-20)15-2-1-9-31-15/h1,8-16,20H,5-7,17-18H2,2-3H3,(H2,30,32);1,8-15,19H,5-7,16-17H2,2-3H3,(H2,29,31);4-9,14-15H,10-13,16H2,1-3H3,(H2,29,31);1,7-10,13-15,29H,11-12H2,2-5H3,(H2,28,31);6-12,14,16,30H,3-5,13H2,1-2H3,(H2,28,31);3-8,11-12,19,28H,9-10,13H2,1-2H3,(H2,27,30);1-3,6,9-11,24H,4-5,7-8H2,(H2,23,26)
InChIKeyRMTLDALNAQNUQN-UHFFFAOYSA-N
MW3307.87 g/mol
LogP28.48
Rot. Bonds46

About 2-[4-[5-amino-6-[5-[4-(cyclobutylmethylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;N-[4-[5-[3-amino-6-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]-N',N'-dimethylethane-1,2-diamine;2-[4-[5-amino-6-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-(4-morpholin-3-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;4-[4-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;5-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]-3-[5-[4-[3-(oxetan-3-yl)propyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[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

2-[4-[5-amino-6-[5-[4-(cyclobutylmethylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;N-[4-[5-[3-amino-6-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]-N',N'-dimethylethane-1,2-diamine;2-[4-[5-amino-6-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-(4-morpholin-3-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;4-[4-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;5-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]-3-[5-[4-[3-(oxetan-3-yl)propyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[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 (PubChem CID 160669659) has the molecular formula C182H181FN52O10S and a molecular weight of 3307.87 g/mol. Its IUPAC name is 2-[4-[5-amino-6-[5-[4-(cyclobutylmethylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;N-[4-[5-[3-amino-6-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]-N',N'-dimethylethane-1,2-diamine;2-[4-[5-amino-6-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-(4-morpholin-3-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;4-[4-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;5-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]-3-[5-[4-[3-(oxetan-3-yl)propyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[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.

Molecular Properties

Compound Name2-[4-[5-amino-6-[5-[4-(cyclobutylmethylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;N-[4-[5-[3-amino-6-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]-N',N'-dimethylethane-1,2-diamine;2-[4-[5-amino-6-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-(4-morpholin-3-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;4-[4-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;5-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]-3-[5-[4-[3-(oxetan-3-yl)propyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[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
PubChem CID160669659
Molecular FormulaC182H181FN52O10S
Molecular Weight3307.87 g/mol
Exact Mass3305.50
IUPAC Name2-[4-[5-amino-6-[5-[4-(cyclobutylmethylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;N-[4-[5-[3-amino-6-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]-N',N'-dimethylethane-1,2-diamine;2-[4-[5-amino-6-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-(4-morpholin-3-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;4-[4-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;5-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]-3-[5-[4-[3-(oxetan-3-yl)propyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[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
SMILESC#CC(C)(C)c1cc(-c2cnc(N)c(-c3cc(-c4ccc(CCCC5COC5)cc4)no3)n2)ccn1.C#CC(C)(C)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc(CCCC5COC5)cc4)o3)n2)ccn1.C#CC(C)(C)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc(NCCN(C)C)cc4F)o3)n2)ccn1.CC(C)(C#N)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc(C5COCCN5)cc4)o3)n2)ccn1.CC(C)(C#N)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc(NCC5CCC5)cc4)o3)n2)ccn1.CN1CCN(Cc2ccc(-c3nnc(-c4nc(-c5ccnc(C(C)(C)C#N)c5)cnc4N)o3)cc2)CC1.N#CC1(c2cc(-c3cnc(N)c(-c4nnc(-c5cccs5)o4)n3)ccn2)CCNCC1
InChIInChI=1S/C29H29N5O2.C28H28N6O2.C27H29N9O.C26H27FN8O.C26H26N8O.C25H24N8O2.C21H18N8OS/c1-4-29(2,3)26-14-22(12-13-31-26)24-16-32-28(30)27(33-24)25-15-23(34-36-25)21-10-8-19(9-11-21)6-5-7-20-17-35-18-20;1-4-28(2,3)23-14-21(12-13-30-23)22-15-31-25(29)24(32-22)27-34-33-26(36-27)20-10-8-18(9-11-20)6-5-7-19-16-35-17-19;1-27(2,17-28)22-14-20(8-9-30-22)21-15-31-24(29)23(32-21)26-34-33-25(37-26)19-6-4-18(5-7-19)16-36-12-10-35(3)11-13-36;1-6-26(2,3)21-13-16(9-10-30-21)20-15-31-23(28)22(32-20)25-34-33-24(36-25)18-8-7-17(14-19(18)27)29-11-12-35(4)5;1-26(2,15-27)21-12-18(10-11-29-21)20-14-31-23(28)22(32-20)25-34-33-24(35-25)17-6-8-19(9-7-17)30-13-16-4-3-5-16;1-25(2,14-26)20-11-17(7-8-29-20)18-12-30-22(27)21(31-18)24-33-32-23(35-24)16-5-3-15(4-6-16)19-13-34-10-9-28-19;22-12-21(4-7-24-8-5-21)16-10-13(3-6-25-16)14-11-26-18(23)17(27-14)20-29-28-19(30-20)15-2-1-9-31-15/h1,8-16,20H,5-7,17-18H2,2-3H3,(H2,30,32);1,8-15,19H,5-7,16-17H2,2-3H3,(H2,29,31);4-9,14-15H,10-13,16H2,1-3H3,(H2,29,31);1,7-10,13-15,29H,11-12H2,2-5H3,(H2,28,31);6-12,14,16,30H,3-5,13H2,1-2H3,(H2,28,31);3-8,11-12,19,28H,9-10,13H2,1-2H3,(H2,27,30);1-3,6,9-11,24H,4-5,7-8H2,(H2,23,26)
InChIKeyRMTLDALNAQNUQN-UHFFFAOYSA-N
XLogP28.48
TPSA893.07 Ų
H-Bond Donors11
H-Bond Acceptors63
Rotatable Bonds46
Heavy Atoms246
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003307.87
LogP ≤ 528.48
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1063

Computed Properties (RDKit)

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

Analyze 2-[4-[5-amino-6-[5-[4-(cyclobutylmethylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;N-[4-[5-[3-amino-6-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]-N',N'-dimethylethane-1,2-diamine;2-[4-[5-amino-6-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-(4-morpholin-3-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;4-[4-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;5-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]-3-[5-[4-[3-(oxetan-3-yl)propyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-amino-6-[5-[4-(cyclobutylmethylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;N-[4-[5-[3-amino-6-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]-N',N'-dimethylethane-1,2-diamine;2-[4-[5-amino-6-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-(4-morpholin-3-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;4-[4-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;5-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]-3-[5-[4-[3-(oxetan-3-yl)propyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[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?
The IUPAC name of 2-[4-[5-amino-6-[5-[4-(cyclobutylmethylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;N-[4-[5-[3-amino-6-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]-N',N'-dimethylethane-1,2-diamine;2-[4-[5-amino-6-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-(4-morpholin-3-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;4-[4-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;5-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]-3-[5-[4-[3-(oxetan-3-yl)propyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[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 160669659) is 2-[4-[5-amino-6-[5-[4-(cyclobutylmethylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;N-[4-[5-[3-amino-6-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]-N',N'-dimethylethane-1,2-diamine;2-[4-[5-amino-6-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-(4-morpholin-3-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;4-[4-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;5-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]-3-[5-[4-[3-(oxetan-3-yl)propyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[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.
What is the SMILES notation for 2-[4-[5-amino-6-[5-[4-(cyclobutylmethylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;N-[4-[5-[3-amino-6-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]-N',N'-dimethylethane-1,2-diamine;2-[4-[5-amino-6-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-(4-morpholin-3-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;4-[4-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;5-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]-3-[5-[4-[3-(oxetan-3-yl)propyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[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?
The canonical SMILES for 2-[4-[5-amino-6-[5-[4-(cyclobutylmethylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;N-[4-[5-[3-amino-6-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]-N',N'-dimethylethane-1,2-diamine;2-[4-[5-amino-6-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-(4-morpholin-3-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;4-[4-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;5-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]-3-[5-[4-[3-(oxetan-3-yl)propyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[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 is C#CC(C)(C)c1cc(-c2cnc(N)c(-c3cc(-c4ccc(CCCC5COC5)cc4)no3)n2)ccn1.C#CC(C)(C)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc(CCCC5COC5)cc4)o3)n2)ccn1.C#CC(C)(C)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc(NCCN(C)C)cc4F)o3)n2)ccn1.CC(C)(C#N)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc(C5COCCN5)cc4)o3)n2)ccn1.CC(C)(C#N)c1cc(-c2cnc(N)c(-c3nnc(-c4ccc(NCC5CCC5)cc4)o3)n2)ccn1.CN1CCN(Cc2ccc(-c3nnc(-c4nc(-c5ccnc(C(C)(C)C#N)c5)cnc4N)o3)cc2)CC1.N#CC1(c2cc(-c3cnc(N)c(-c4nnc(-c5cccs5)o4)n3)ccn2)CCNCC1.
What is the InChIKey of 2-[4-[5-amino-6-[5-[4-(cyclobutylmethylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;N-[4-[5-[3-amino-6-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]-N',N'-dimethylethane-1,2-diamine;2-[4-[5-amino-6-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-(4-morpholin-3-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;4-[4-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;5-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]-3-[5-[4-[3-(oxetan-3-yl)propyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[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?
The InChIKey is RMTLDALNAQNUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O2.C28H28N6O2.C27H29N9O.C26H27FN8O.C26H26N8O.C25H24N8O2.C21H18N8OS/c1-4-29(2,3)26-14-22(12-13-31-26)24-16-32-28(30)27(33-24)25-15-23(34-36-25)21-10-8-19(9-11-21)6-5-7-20-17-35-18-20;1-4-28(2,3)23-14-21(12-13-30-23)22-15-31-25(29)24(32-22)27-34-33-26(36-27)20-10-8-18(9-11-20)6-5-7-19-16-35-17-19;1-27(2,17-28)22-14-20(8-9-30-22)21-15-31-24(29)23(32-21)26-34-33-25(37-26)19-6-4-18(5-7-19)16-36-12-10-35(3)11-13-36;1-6-26(2,3)21-13-16(9-10-30-21)20-15-31-23(28)22(32-20)25-34-33-24(36-25)18-8-7-17(14-19(18)27)29-11-12-35(4)5;1-26(2,15-27)21-12-18(10-11-29-21)20-14-31-23(28)22(32-20)25-34-33-24(35-25)17-6-8-19(9-7-17)30-13-16-4-3-5-16;1-25(2,14-26)20-11-17(7-8-29-20)18-12-30-22(27)21(31-18)24-33-32-23(35-24)16-5-3-15(4-6-16)19-13-34-10-9-28-19;22-12-21(4-7-24-8-5-21)16-10-13(3-6-25-16)14-11-26-18(23)17(27-14)20-29-28-19(30-20)15-2-1-9-31-15/h1,8-16,20H,5-7,17-18H2,2-3H3,(H2,30,32);1,8-15,19H,5-7,16-17H2,2-3H3,(H2,29,31);4-9,14-15H,10-13,16H2,1-3H3,(H2,29,31);1,7-10,13-15,29H,11-12H2,2-5H3,(H2,28,31);6-12,14,16,30H,3-5,13H2,1-2H3,(H2,28,31);3-8,11-12,19,28H,9-10,13H2,1-2H3,(H2,27,30);1-3,6,9-11,24H,4-5,7-8H2,(H2,23,26).
What are the key properties of 2-[4-[5-amino-6-[5-[4-(cyclobutylmethylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;N-[4-[5-[3-amino-6-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]-N',N'-dimethylethane-1,2-diamine;2-[4-[5-amino-6-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-(4-morpholin-3-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;4-[4-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;5-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]-3-[5-[4-[3-(oxetan-3-yl)propyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[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?
2-[4-[5-amino-6-[5-[4-(cyclobutylmethylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;N-[4-[5-[3-amino-6-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]-N',N'-dimethylethane-1,2-diamine;2-[4-[5-amino-6-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-(4-morpholin-3-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;4-[4-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;5-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]-3-[5-[4-[3-(oxetan-3-yl)propyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[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 has a molecular weight of 3307.87 g/mol, XLogP of 28.48, 46 rotatable bonds, 11 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-amino-6-[5-[4-(cyclobutylmethylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;N-[4-[5-[3-amino-6-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]-N',N'-dimethylethane-1,2-diamine;2-[4-[5-amino-6-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[5-(4-morpholin-3-ylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;4-[4-[5-amino-6-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile;5-[2-(2-methylbut-3-yn-2-yl)-4-pyridinyl]-3-[5-[4-[3-(oxetan-3-yl)propyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;5-[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 is sourced from PubChem (CID 160669659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).