4-[(5-cyano-1,2,4-oxadiazol-3-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(5-cyano-1,3,4-oxadiazol-2-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(5-cyano-1,2,4-oxadiazol-3-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(5-cyano-1,3,4-oxadiazol-2-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(2-cyano-1,3-oxazol-5-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide

C134H97N39O10 — CID 157444891

IUPAC4-[(5-cyano-1,2,4-oxadiazol-3-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(5-cyano-1,3,4-oxadiazol-2-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(5-cyano-1,2,4-oxadiazol-3-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(5-cyano-1,3,4-oxadiazol-2-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(2-cyano-1,3-oxazol-5-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(-c3nnc(C#N)o3)cc2)cc1Nc1nccc(-c2cccnc2)n1.Cc1ccc(NC(=O)c2ccc(-c3noc(C#N)n3)cc2)cc1Nc1nccc(-c2cccnc2)n1.Cc1ccc(NC(=O)c2ccc(Cc3cnc(C#N)o3)cc2)cc1Nc1nccc(-c2cccnc2)n1.Cc1ccc(NC(=O)c2ccc(Cc3nnc(C#N)o3)cc2)cc1Nc1nccc(-c2cccnc2)n1.Cc1ccc(NC(=O)c2ccc(Cc3noc(C#N)n3)cc2)cc1Nc1nccc(-c2cccnc2)n1
InChIInChI=1S/C28H21N7O2.2C27H20N8O2.2C26H18N8O2/c1-18-4-9-22(14-25(18)35-28-31-12-10-24(34-28)21-3-2-11-30-16-21)33-27(36)20-7-5-19(6-8-20)13-23-17-32-26(15-29)37-23;1-17-4-9-21(14-23(17)33-27-30-12-10-22(32-27)20-3-2-11-29-16-20)31-26(36)19-7-5-18(6-8-19)13-24-34-35-25(15-28)37-24;1-17-4-9-21(14-23(17)33-27-30-12-10-22(32-27)20-3-2-11-29-16-20)31-26(36)19-7-5-18(6-8-19)13-24-34-25(15-28)37-35-24;1-16-4-9-20(13-22(16)32-26-29-12-10-21(31-26)19-3-2-11-28-15-19)30-25(35)18-7-5-17(6-8-18)24-33-23(14-27)36-34-24;1-16-4-9-20(13-22(16)32-26-29-12-10-21(31-26)19-3-2-11-28-15-19)30-24(35)17-5-7-18(8-6-17)25-34-33-23(14-27)36-25/h2-12,14,16-17H,13H2,1H3,(H,33,36)(H,31,34,35);2*2-12,14,16H,13H2,1H3,(H,31,36)(H,30,32,33);2*2-13,15H,1H3,(H,30,35)(H,29,31,32)
InChIKeyBSCJHVAPJCKYIK-UHFFFAOYSA-N
MW2413.51 g/mol
LogP24.20
Rot. Bonds33

About 4-[(5-cyano-1,2,4-oxadiazol-3-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(5-cyano-1,3,4-oxadiazol-2-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(5-cyano-1,2,4-oxadiazol-3-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(5-cyano-1,3,4-oxadiazol-2-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(2-cyano-1,3-oxazol-5-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide

4-[(5-cyano-1,2,4-oxadiazol-3-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(5-cyano-1,3,4-oxadiazol-2-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(5-cyano-1,2,4-oxadiazol-3-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(5-cyano-1,3,4-oxadiazol-2-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(2-cyano-1,3-oxazol-5-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide (PubChem CID 157444891) has the molecular formula C134H97N39O10 and a molecular weight of 2413.51 g/mol. Its IUPAC name is 4-[(5-cyano-1,2,4-oxadiazol-3-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(5-cyano-1,3,4-oxadiazol-2-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(5-cyano-1,2,4-oxadiazol-3-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(5-cyano-1,3,4-oxadiazol-2-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(2-cyano-1,3-oxazol-5-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name4-[(5-cyano-1,2,4-oxadiazol-3-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(5-cyano-1,3,4-oxadiazol-2-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(5-cyano-1,2,4-oxadiazol-3-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(5-cyano-1,3,4-oxadiazol-2-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(2-cyano-1,3-oxazol-5-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
PubChem CID157444891
Molecular FormulaC134H97N39O10
Molecular Weight2413.51 g/mol
Exact Mass2411.83
IUPAC Name4-[(5-cyano-1,2,4-oxadiazol-3-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(5-cyano-1,3,4-oxadiazol-2-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(5-cyano-1,2,4-oxadiazol-3-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(5-cyano-1,3,4-oxadiazol-2-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(2-cyano-1,3-oxazol-5-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(-c3nnc(C#N)o3)cc2)cc1Nc1nccc(-c2cccnc2)n1.Cc1ccc(NC(=O)c2ccc(-c3noc(C#N)n3)cc2)cc1Nc1nccc(-c2cccnc2)n1.Cc1ccc(NC(=O)c2ccc(Cc3cnc(C#N)o3)cc2)cc1Nc1nccc(-c2cccnc2)n1.Cc1ccc(NC(=O)c2ccc(Cc3nnc(C#N)o3)cc2)cc1Nc1nccc(-c2cccnc2)n1.Cc1ccc(NC(=O)c2ccc(Cc3noc(C#N)n3)cc2)cc1Nc1nccc(-c2cccnc2)n1
InChIInChI=1S/C28H21N7O2.2C27H20N8O2.2C26H18N8O2/c1-18-4-9-22(14-25(18)35-28-31-12-10-24(34-28)21-3-2-11-30-16-21)33-27(36)20-7-5-19(6-8-20)13-23-17-32-26(15-29)37-23;1-17-4-9-21(14-23(17)33-27-30-12-10-22(32-27)20-3-2-11-29-16-20)31-26(36)19-7-5-18(6-8-19)13-24-34-35-25(15-28)37-24;1-17-4-9-21(14-23(17)33-27-30-12-10-22(32-27)20-3-2-11-29-16-20)31-26(36)19-7-5-18(6-8-19)13-24-34-25(15-28)37-35-24;1-16-4-9-20(13-22(16)32-26-29-12-10-21(31-26)19-3-2-11-28-15-19)30-25(35)18-7-5-17(6-8-18)24-33-23(14-27)36-34-24;1-16-4-9-20(13-22(16)32-26-29-12-10-21(31-26)19-3-2-11-28-15-19)30-24(35)17-5-7-18(8-6-17)25-34-33-23(14-27)36-25/h2-12,14,16-17H,13H2,1H3,(H,33,36)(H,31,34,35);2*2-12,14,16H,13H2,1H3,(H,31,36)(H,30,32,33);2*2-13,15H,1H3,(H,30,35)(H,29,31,32)
InChIKeyBSCJHVAPJCKYIK-UHFFFAOYSA-N
XLogP24.20
TPSA699.66 Ų
H-Bond Donors10
H-Bond Acceptors44
Rotatable Bonds33
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002413.51
LogP ≤ 524.20
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1044

Analyze 4-[(5-cyano-1,2,4-oxadiazol-3-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(5-cyano-1,3,4-oxadiazol-2-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(5-cyano-1,2,4-oxadiazol-3-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(5-cyano-1,3,4-oxadiazol-2-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(2-cyano-1,3-oxazol-5-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide with MolForge

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Related Compounds

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CID 159409363
4-methyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-N-(5-pyridin-4-yl-1,3-oxazol-2-yl)benzene-1,3-diamine;4-methyl-2-(5-phenyl-1,3-oxazol-2-yl)-3-N-(5-pyridin-4-yl-1,3-oxazol-2-yl)benzene-1,3-diamine
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8,8-dimethyl-3-(1-pyridin-2-ylimidazol-4-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(4-pyridin-2-ylimidazol-1-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;bis(8,8-dimethyl-3-(5-pyridin-2-yl-1,2-oxazol-3-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one);8,8-dimethyl-3-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
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3-[[4-[2-[4-Methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,2,4-oxadiazole-5-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3,4-oxadiazole-2-carbonitrile;3-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,2,4-oxadiazole-5-carbonitrile;5-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,3,4-oxadiazole-2-carbonitrile
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8,8-dimethyl-3-(4-pyridin-2-ylimidazol-1-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;bis(8,8-dimethyl-3-(5-pyridin-2-yl-1,2-oxazol-3-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one);bis(8,8-dimethyl-3-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one)
CID 158194161
N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-3-(4-nitrophenyl)-N-prop-2-enylpropanamide;2-benzyl-5-piperidin-4-yl-1,3,4-oxadiazole;3-benzyl-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-methoxyphenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;3-[(4-nitrophenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;2-phenyl-5-piperidin-4-yl-1,3,4-oxadiazole;3-phenyl-5-piperidin-4-yl-1,2,4-oxadiazole;5-phenyl-2-piperidin-4-yl-1,3-oxazole;5-piperidin-4-yl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
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(5S)-3-[3,5-difluoro-4-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]phenyl]-5-ethyl-1,3-oxazolidin-2-one;(5S)-3-[3,5-difluoro-4-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]phenyl]-5-ethyl-1,3-oxazolidin-2-one;(5S)-3-[3,5-difluoro-4-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]phenyl]-5-ethyl-1,3-oxazolidin-2-one;(5S)-5-ethyl-3-[3-fluoro-4-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one;(5S)-5-ethyl-3-[3-fluoro-4-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one;(5S)-5-ethyl-3-[3-fluoro-4-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one;methane
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3-[[4-[2-[4-Methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,2,4-oxadiazole-5-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3,4-oxadiazole-2-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3-oxazole-2-carbonitrile;3-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,2,4-oxadiazole-5-carbonitrile;5-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,3,4-oxadiazole-2-carbonitrile
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6-[1-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine;6-[1-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine;6-[1-[[4-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]methyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine;6-[1-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]triazol-4-yl]-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine;6-[1-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propyl]triazol-4-yl]-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine
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3-amino-N-benzyl-6-methylquinoxaline-2-carboxamide;3-amino-N-benzylquinoxaline-2-carboxamide;bis(3-amino-N-[(3-methylphenyl)methyl]quinoxaline-2-carboxamide);3-amino-N-[(4-methylphenyl)methyl]quinoxaline-2-carboxamide;3-(5-methyl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine;3-(5-phenyl-1,2,4-oxadiazol-3-yl)quinoxalin-2-amine;3-(5-phenyl-1,3-oxazol-2-yl)quinoxalin-2-amine;3-(5-phenyl-1H-pyrazol-2-ium-2-yl)quinoxalin-2-amine;3-(4-phenylpyrazol-1-yl)quinoxalin-2-amine
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CID 160366898

Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyano-1,2,4-oxadiazol-3-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(5-cyano-1,3,4-oxadiazol-2-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(5-cyano-1,2,4-oxadiazol-3-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(5-cyano-1,3,4-oxadiazol-2-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(2-cyano-1,3-oxazol-5-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide?
The IUPAC name of 4-[(5-cyano-1,2,4-oxadiazol-3-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(5-cyano-1,3,4-oxadiazol-2-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(5-cyano-1,2,4-oxadiazol-3-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(5-cyano-1,3,4-oxadiazol-2-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(2-cyano-1,3-oxazol-5-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide (CID 157444891) is 4-[(5-cyano-1,2,4-oxadiazol-3-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(5-cyano-1,3,4-oxadiazol-2-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(5-cyano-1,2,4-oxadiazol-3-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(5-cyano-1,3,4-oxadiazol-2-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(2-cyano-1,3-oxazol-5-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide.
What is the SMILES notation for 4-[(5-cyano-1,2,4-oxadiazol-3-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(5-cyano-1,3,4-oxadiazol-2-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(5-cyano-1,2,4-oxadiazol-3-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(5-cyano-1,3,4-oxadiazol-2-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(2-cyano-1,3-oxazol-5-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide?
The canonical SMILES for 4-[(5-cyano-1,2,4-oxadiazol-3-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(5-cyano-1,3,4-oxadiazol-2-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(5-cyano-1,2,4-oxadiazol-3-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(5-cyano-1,3,4-oxadiazol-2-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(2-cyano-1,3-oxazol-5-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide is Cc1ccc(NC(=O)c2ccc(-c3nnc(C#N)o3)cc2)cc1Nc1nccc(-c2cccnc2)n1.Cc1ccc(NC(=O)c2ccc(-c3noc(C#N)n3)cc2)cc1Nc1nccc(-c2cccnc2)n1.Cc1ccc(NC(=O)c2ccc(Cc3cnc(C#N)o3)cc2)cc1Nc1nccc(-c2cccnc2)n1.Cc1ccc(NC(=O)c2ccc(Cc3nnc(C#N)o3)cc2)cc1Nc1nccc(-c2cccnc2)n1.Cc1ccc(NC(=O)c2ccc(Cc3noc(C#N)n3)cc2)cc1Nc1nccc(-c2cccnc2)n1.
What is the InChIKey of 4-[(5-cyano-1,2,4-oxadiazol-3-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(5-cyano-1,3,4-oxadiazol-2-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(5-cyano-1,2,4-oxadiazol-3-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(5-cyano-1,3,4-oxadiazol-2-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(2-cyano-1,3-oxazol-5-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide?
The InChIKey is BSCJHVAPJCKYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N7O2.2C27H20N8O2.2C26H18N8O2/c1-18-4-9-22(14-25(18)35-28-31-12-10-24(34-28)21-3-2-11-30-16-21)33-27(36)20-7-5-19(6-8-20)13-23-17-32-26(15-29)37-23;1-17-4-9-21(14-23(17)33-27-30-12-10-22(32-27)20-3-2-11-29-16-20)31-26(36)19-7-5-18(6-8-19)13-24-34-35-25(15-28)37-24;1-17-4-9-21(14-23(17)33-27-30-12-10-22(32-27)20-3-2-11-29-16-20)31-26(36)19-7-5-18(6-8-19)13-24-34-25(15-28)37-35-24;1-16-4-9-20(13-22(16)32-26-29-12-10-21(31-26)19-3-2-11-28-15-19)30-25(35)18-7-5-17(6-8-18)24-33-23(14-27)36-34-24;1-16-4-9-20(13-22(16)32-26-29-12-10-21(31-26)19-3-2-11-28-15-19)30-24(35)17-5-7-18(8-6-17)25-34-33-23(14-27)36-25/h2-12,14,16-17H,13H2,1H3,(H,33,36)(H,31,34,35);2*2-12,14,16H,13H2,1H3,(H,31,36)(H,30,32,33);2*2-13,15H,1H3,(H,30,35)(H,29,31,32).
What are the key properties of 4-[(5-cyano-1,2,4-oxadiazol-3-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(5-cyano-1,3,4-oxadiazol-2-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(5-cyano-1,2,4-oxadiazol-3-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(5-cyano-1,3,4-oxadiazol-2-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(2-cyano-1,3-oxazol-5-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide?
4-[(5-cyano-1,2,4-oxadiazol-3-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(5-cyano-1,3,4-oxadiazol-2-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(5-cyano-1,2,4-oxadiazol-3-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(5-cyano-1,3,4-oxadiazol-2-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(2-cyano-1,3-oxazol-5-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide has a molecular weight of 2413.51 g/mol, XLogP of 24.20, 33 rotatable bonds, 10 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-cyano-1,2,4-oxadiazol-3-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(5-cyano-1,3,4-oxadiazol-2-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(5-cyano-1,2,4-oxadiazol-3-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(5-cyano-1,3,4-oxadiazol-2-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(2-cyano-1,3-oxazol-5-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide is sourced from PubChem (CID 157444891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).