5-[(4-cyano-3-methyl-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(4-methoxyanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(4-ethylanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-(3-methylanilino)pyridine-3-carbonitrile;bis(5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-(4-methylanilino)pyridine-3-carbonitrile);methyl 4-[[3-cyano-5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-pyridinyl]amino]benzoate

C141H118N66O3 — CID 123964615

IUPAC5-[(4-cyano-3-methyl-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(4-methoxyanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(4-ethylanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-(3-methylanilino)pyridine-3-carbonitrile;bis(5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-(4-methylanilino)pyridine-3-carbonitrile);methyl 4-[[3-cyano-5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-pyridinyl]amino]benzoate
SMILESCCc1ccc(Nc2nc(NC)c(/N=N/c3c(C#N)cnn3-c3ncccn3)c(C)c2C#N)cc1.CNc1nc(Nc2ccc(C(=O)OC)cc2)c(C#N)c(C)c1/N=N/c1c(C#N)cnn1-c1ncccn1.CNc1nc(Nc2ccc(C)cc2)c(C#N)c(C)c1/N=N/c1c(C#N)cnn1-c1ncccn1.CNc1nc(Nc2ccc(C)cc2)c(C#N)c(C)c1/N=N/c1c(C#N)cnn1-c1ncccn1.CNc1nc(Nc2ccc(OC)cc2)c(C#N)c(C)c1/N=N/c1c(C#N)c(C)nn1-c1ncccn1.CNc1nc(Nc2cccc(C)c2)c(C#N)c(C)c1/N=N/c1c(C#N)cnn1-c1ncccn1
InChIInChI=1S/C24H19N11O2.C24H21N11O.C24H21N11.3C23H19N11/c1-14-18(12-26)20(31-17-7-5-15(6-8-17)23(36)37-3)32-21(27-2)19(14)33-34-22-16(11-25)13-30-35(22)24-28-9-4-10-29-24;1-14-18(12-25)21(30-16-6-8-17(36-4)9-7-16)31-22(27-3)20(14)32-33-23-19(13-26)15(2)34-35(23)24-28-10-5-11-29-24;1-4-16-6-8-18(9-7-16)31-21-19(13-26)15(2)20(22(27-3)32-21)33-34-23-17(12-25)14-30-35(23)24-28-10-5-11-29-24;2*1-14-5-7-17(8-6-14)30-20-18(12-25)15(2)19(21(26-3)31-20)32-33-22-16(11-24)13-29-34(22)23-27-9-4-10-28-23;1-14-6-4-7-17(10-14)30-20-18(12-25)15(2)19(21(26-3)31-20)32-33-22-16(11-24)13-29-34(22)23-27-8-5-9-28-23/h4-10,13H,1-3H3,(H2,27,31,32);5-11H,1-4H3,(H2,27,30,31);5-11,14H,4H2,1-3H3,(H2,27,31,32);3*4-10,13H,1-3H3,(H2,26,30,31)/b34-33+;33-32+;34-33+;3*33-32+
InChIKeyVZLVYLOPLRHSAL-WEJSAOJSSA-N
MW2784.95 g/mol
LogP27.45
Rot. Bonds39

About 5-[(4-cyano-3-methyl-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(4-methoxyanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(4-ethylanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-(3-methylanilino)pyridine-3-carbonitrile;bis(5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-(4-methylanilino)pyridine-3-carbonitrile);methyl 4-[[3-cyano-5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-pyridinyl]amino]benzoate

5-[(4-cyano-3-methyl-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(4-methoxyanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(4-ethylanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-(3-methylanilino)pyridine-3-carbonitrile;bis(5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-(4-methylanilino)pyridine-3-carbonitrile);methyl 4-[[3-cyano-5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-pyridinyl]amino]benzoate (PubChem CID 123964615) has the molecular formula C141H118N66O3 and a molecular weight of 2784.95 g/mol. Its IUPAC name is 5-[(4-cyano-3-methyl-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(4-methoxyanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(4-ethylanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-(3-methylanilino)pyridine-3-carbonitrile;bis(5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-(4-methylanilino)pyridine-3-carbonitrile);methyl 4-[[3-cyano-5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-pyridinyl]amino]benzoate.

Molecular Properties

Compound Name5-[(4-cyano-3-methyl-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(4-methoxyanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(4-ethylanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-(3-methylanilino)pyridine-3-carbonitrile;bis(5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-(4-methylanilino)pyridine-3-carbonitrile);methyl 4-[[3-cyano-5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-pyridinyl]amino]benzoate
PubChem CID123964615
Molecular FormulaC141H118N66O3
Molecular Weight2784.95 g/mol
Exact Mass2783.11
IUPAC Name5-[(4-cyano-3-methyl-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(4-methoxyanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(4-ethylanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-(3-methylanilino)pyridine-3-carbonitrile;bis(5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-(4-methylanilino)pyridine-3-carbonitrile);methyl 4-[[3-cyano-5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-pyridinyl]amino]benzoate
SMILESCCc1ccc(Nc2nc(NC)c(/N=N/c3c(C#N)cnn3-c3ncccn3)c(C)c2C#N)cc1.CNc1nc(Nc2ccc(C(=O)OC)cc2)c(C#N)c(C)c1/N=N/c1c(C#N)cnn1-c1ncccn1.CNc1nc(Nc2ccc(C)cc2)c(C#N)c(C)c1/N=N/c1c(C#N)cnn1-c1ncccn1.CNc1nc(Nc2ccc(C)cc2)c(C#N)c(C)c1/N=N/c1c(C#N)cnn1-c1ncccn1.CNc1nc(Nc2ccc(OC)cc2)c(C#N)c(C)c1/N=N/c1c(C#N)c(C)nn1-c1ncccn1.CNc1nc(Nc2cccc(C)c2)c(C#N)c(C)c1/N=N/c1c(C#N)cnn1-c1ncccn1
InChIInChI=1S/C24H19N11O2.C24H21N11O.C24H21N11.3C23H19N11/c1-14-18(12-26)20(31-17-7-5-15(6-8-17)23(36)37-3)32-21(27-2)19(14)33-34-22-16(11-25)13-30-35(22)24-28-9-4-10-29-24;1-14-18(12-25)21(30-16-6-8-17(36-4)9-7-16)31-22(27-3)20(14)32-33-23-19(13-26)15(2)34-35(23)24-28-10-5-11-29-24;1-4-16-6-8-18(9-7-16)31-21-19(13-26)15(2)20(22(27-3)32-21)33-34-23-17(12-25)14-30-35(23)24-28-10-5-11-29-24;2*1-14-5-7-17(8-6-14)30-20-18(12-25)15(2)19(21(26-3)31-20)32-33-22-16(11-24)13-29-34(22)23-27-9-4-10-28-23;1-14-6-4-7-17(10-14)30-20-18(12-25)15(2)19(21(26-3)31-20)32-33-22-16(11-24)13-29-34(22)23-27-8-5-9-28-23/h4-10,13H,1-3H3,(H2,27,31,32);5-11H,1-4H3,(H2,27,30,31);5-11,14H,4H2,1-3H3,(H2,27,31,32);3*4-10,13H,1-3H3,(H2,26,30,31)/b34-33+;33-32+;34-33+;3*33-32+
InChIKeyVZLVYLOPLRHSAL-WEJSAOJSSA-N
XLogP27.45
TPSA952.63 Ų
H-Bond Donors12
H-Bond Acceptors69
Rotatable Bonds39
Heavy Atoms210
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002784.95
LogP ≤ 527.45
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1069

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 5-[(4-cyano-3-methyl-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(4-methoxyanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(4-ethylanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-(3-methylanilino)pyridine-3-carbonitrile;bis(5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-(4-methylanilino)pyridine-3-carbonitrile);methyl 4-[[3-cyano-5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-pyridinyl]amino]benzoate with MolForge

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Related Compounds

N-benzyl-5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboxamide;3-cyano-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;N-naphthalen-2-yl-5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboxamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]cyclohexanecarboxamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-4-carboxamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]cyclohexanecarboxamide;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
CID 157657360
N-[4-(difluoromethoxy)phenyl]-4-fluoro-6-(2-methylbenzimidazol-1-yl)pyridin-2-amine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[4-(difluoromethyl)phenyl]pyrazin-2-amine;4-[[6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzaldehyde;6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine;6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine
CID 157993298
N-benzyl-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide;N-cyclohexyl-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide;2-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]acetamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]heptanamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-4-(trifluoromethoxy)benzamide;4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 160353412
2-[2-[3-Fluoro-5-[3-(trifluoromethoxy)phenyl]phenyl]tetrazol-5-yl]pyridine;2-[2-[3-methoxy-4-(2-pyrazol-1-ylphenyl)phenyl]tetrazol-5-yl]pyridine;5-[2-methoxy-4-(5-pyridin-2-yltetrazol-2-yl)phenyl]pyrimidine;methyl 3-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]benzoate;1-[3-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]phenyl]ethanone
CID 161243809
6-(2-cyclobutylimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-cyclopropylimidazo[1,2-a]pyridin-3-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(2-cyclopropylimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;methyl 4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoate
CID 161412463
N-(3-chlorophenyl)-6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-amine;6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-(3-methoxyphenyl)pyrazin-2-amine;4-[[6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-yl]amino]benzonitrile;N-[2-fluoro-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;methyl 4-[[6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-yl]amino]benzoate
CID 162164609
N-[(R)-cyano-[2-fluoro-4-[2-[(R)-[2-methoxy-4-[2-[(S)-(2-methoxyphenyl)-[[3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]benzoyl]amino]methyl]imidazol-1-yl]phenyl]-[[3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]benzoyl]amino]methyl]imidazol-1-yl]phenyl]methyl]-3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide
CID 166874845
N-(2-aminoethyl)-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-cyclohexyl-4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N,N-dimethylbenzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide
CID 157247338
5-(1-butylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;N-butyl-3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide;N',N'-diethyl-N-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]ethane-1,2-diamine;5-(1-prop-2-ynylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 157675093
N-(3-chlorophenyl)-6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-amine;N-(4-chlorophenyl)-6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-amine;N-(4-fluorophenyl)-6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-amine;N-(3-methoxyphenyl)-6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-amine;methyl 4-[[6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-yl]amino]benzoate;4-[[6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-yl]amino]benzonitrile
CID 157715106
1-[3-[[3-(1H-indol-5-yl)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]ethanone;3-(1H-indol-5-yl)-6-(3-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazine;3-(1H-indol-5-yl)-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[1,2-b]pyridazin-6-amine;3-(1H-indol-5-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[1,2-b]pyridazin-6-amine;3-(1H-indol-5-yl)-N-[3-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazin-6-amine;3-(1H-indol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazin-6-amine;methane;methyl 4-[[3-(1H-indol-5-yl)imidazo[1,2-b]pyridazin-6-yl]amino]benzoate
CID 157857477
N-(2-amino-2-methylpropyl)-4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-cyclohexyl-4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide;4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;5-(4-methoxypiperidin-1-yl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 158152350

Frequently Asked Questions

What is the IUPAC name of 5-[(4-cyano-3-methyl-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(4-methoxyanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(4-ethylanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-(3-methylanilino)pyridine-3-carbonitrile;bis(5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-(4-methylanilino)pyridine-3-carbonitrile);methyl 4-[[3-cyano-5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-pyridinyl]amino]benzoate?
The IUPAC name of 5-[(4-cyano-3-methyl-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(4-methoxyanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(4-ethylanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-(3-methylanilino)pyridine-3-carbonitrile;bis(5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-(4-methylanilino)pyridine-3-carbonitrile);methyl 4-[[3-cyano-5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-pyridinyl]amino]benzoate (CID 123964615) is 5-[(4-cyano-3-methyl-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(4-methoxyanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(4-ethylanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-(3-methylanilino)pyridine-3-carbonitrile;bis(5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-(4-methylanilino)pyridine-3-carbonitrile);methyl 4-[[3-cyano-5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-pyridinyl]amino]benzoate.
What is the SMILES notation for 5-[(4-cyano-3-methyl-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(4-methoxyanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(4-ethylanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-(3-methylanilino)pyridine-3-carbonitrile;bis(5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-(4-methylanilino)pyridine-3-carbonitrile);methyl 4-[[3-cyano-5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-pyridinyl]amino]benzoate?
The canonical SMILES for 5-[(4-cyano-3-methyl-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(4-methoxyanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(4-ethylanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-(3-methylanilino)pyridine-3-carbonitrile;bis(5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-(4-methylanilino)pyridine-3-carbonitrile);methyl 4-[[3-cyano-5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-pyridinyl]amino]benzoate is CCc1ccc(Nc2nc(NC)c(/N=N/c3c(C#N)cnn3-c3ncccn3)c(C)c2C#N)cc1.CNc1nc(Nc2ccc(C(=O)OC)cc2)c(C#N)c(C)c1/N=N/c1c(C#N)cnn1-c1ncccn1.CNc1nc(Nc2ccc(C)cc2)c(C#N)c(C)c1/N=N/c1c(C#N)cnn1-c1ncccn1.CNc1nc(Nc2ccc(C)cc2)c(C#N)c(C)c1/N=N/c1c(C#N)cnn1-c1ncccn1.CNc1nc(Nc2ccc(OC)cc2)c(C#N)c(C)c1/N=N/c1c(C#N)c(C)nn1-c1ncccn1.CNc1nc(Nc2cccc(C)c2)c(C#N)c(C)c1/N=N/c1c(C#N)cnn1-c1ncccn1.
What is the InChIKey of 5-[(4-cyano-3-methyl-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(4-methoxyanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(4-ethylanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-(3-methylanilino)pyridine-3-carbonitrile;bis(5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-(4-methylanilino)pyridine-3-carbonitrile);methyl 4-[[3-cyano-5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-pyridinyl]amino]benzoate?
The InChIKey is VZLVYLOPLRHSAL-WEJSAOJSSA-N. The full InChI is InChI=1S/C24H19N11O2.C24H21N11O.C24H21N11.3C23H19N11/c1-14-18(12-26)20(31-17-7-5-15(6-8-17)23(36)37-3)32-21(27-2)19(14)33-34-22-16(11-25)13-30-35(22)24-28-9-4-10-29-24;1-14-18(12-25)21(30-16-6-8-17(36-4)9-7-16)31-22(27-3)20(14)32-33-23-19(13-26)15(2)34-35(23)24-28-10-5-11-29-24;1-4-16-6-8-18(9-7-16)31-21-19(13-26)15(2)20(22(27-3)32-21)33-34-23-17(12-25)14-30-35(23)24-28-10-5-11-29-24;2*1-14-5-7-17(8-6-14)30-20-18(12-25)15(2)19(21(26-3)31-20)32-33-22-16(11-24)13-29-34(22)23-27-9-4-10-28-23;1-14-6-4-7-17(10-14)30-20-18(12-25)15(2)19(21(26-3)31-20)32-33-22-16(11-24)13-29-34(22)23-27-8-5-9-28-23/h4-10,13H,1-3H3,(H2,27,31,32);5-11H,1-4H3,(H2,27,30,31);5-11,14H,4H2,1-3H3,(H2,27,31,32);3*4-10,13H,1-3H3,(H2,26,30,31)/b34-33+;33-32+;34-33+;3*33-32+.
What are the key properties of 5-[(4-cyano-3-methyl-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(4-methoxyanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(4-ethylanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-(3-methylanilino)pyridine-3-carbonitrile;bis(5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-(4-methylanilino)pyridine-3-carbonitrile);methyl 4-[[3-cyano-5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-pyridinyl]amino]benzoate?
5-[(4-cyano-3-methyl-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(4-methoxyanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(4-ethylanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-(3-methylanilino)pyridine-3-carbonitrile;bis(5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-(4-methylanilino)pyridine-3-carbonitrile);methyl 4-[[3-cyano-5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-pyridinyl]amino]benzoate has a molecular weight of 2784.95 g/mol, XLogP of 27.45, 39 rotatable bonds, 12 hydrogen bond donors, and 69 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-cyano-3-methyl-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(4-methoxyanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(4-ethylanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-(3-methylanilino)pyridine-3-carbonitrile;bis(5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-(4-methylanilino)pyridine-3-carbonitrile);methyl 4-[[3-cyano-5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-pyridinyl]amino]benzoate is sourced from PubChem (CID 123964615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).