ethyl 4-[5-[2-oxo-2-[(5-phenyl-2-pyridinyl)amino]ethyl]-3-pyridin-4-yltriazol-4-yl]benzoate;2-[5-(4-fluorophenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[5-(4-isocyanophenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[5-(3-methylphenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[5-(4-methylphenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide

C136H106FN31O7 — CID 157268761

IUPACethyl 4-[5-[2-oxo-2-[(5-phenyl-2-pyridinyl)amino]ethyl]-3-pyridin-4-yltriazol-4-yl]benzoate;2-[5-(4-fluorophenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[5-(4-isocyanophenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[5-(3-methylphenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[5-(4-methylphenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide
SMILESCCOC(=O)c1ccc(-c2c(CC(=O)Nc3ccc(-c4ccccc4)cn3)nnn2-c2ccncc2)cc1.Cc1ccc(-c2c(CC(=O)Nc3ccc(-c4ccccc4)cn3)nnn2-c2ccncc2)cc1.Cc1cccc(-c2c(CC(=O)Nc3ccc(-c4ccccc4)cn3)nnn2-c2ccncc2)c1.O=C(Cc1nnn(-c2ccncc2)c1-c1ccc(F)cc1)Nc1ccc(-c2ccccc2)cn1.[C-]#[N+]c1ccc(-c2c(CC(=O)Nc3ccc(-c4ccccc4)cn3)nnn2-c2ccncc2)cc1
InChIInChI=1S/C29H24N6O3.C27H19N7O.2C27H22N6O.C26H19FN6O/c1-2-38-29(37)22-10-8-21(9-11-22)28-25(33-34-35(28)24-14-16-30-17-15-24)18-27(36)32-26-13-12-23(19-31-26)20-6-4-3-5-7-20;1-28-22-10-7-20(8-11-22)27-24(32-33-34(27)23-13-15-29-16-14-23)17-26(35)31-25-12-9-21(18-30-25)19-5-3-2-4-6-19;1-19-6-5-9-21(16-19)27-24(31-32-33(27)23-12-14-28-15-13-23)17-26(34)30-25-11-10-22(18-29-25)20-7-3-2-4-8-20;1-19-7-9-21(10-8-19)27-24(31-32-33(27)23-13-15-28-16-14-23)17-26(34)30-25-12-11-22(18-29-25)20-5-3-2-4-6-20;27-21-9-6-19(7-10-21)26-23(31-32-33(26)22-12-14-28-15-13-22)16-25(34)30-24-11-8-20(17-29-24)18-4-2-1-3-5-18/h3-17,19H,2,18H2,1H3,(H,31,32,36);2-16,18H,17H2,(H,30,31,35);2*2-16,18H,17H2,1H3,(H,29,30,34);1-15,17H,16H2,(H,29,30,34)
InChIKeyAYHHOKQIVBCFSO-UHFFFAOYSA-N
MW2305.55 g/mol
LogP24.35
Rot. Bonds32

About ethyl 4-[5-[2-oxo-2-[(5-phenyl-2-pyridinyl)amino]ethyl]-3-pyridin-4-yltriazol-4-yl]benzoate;2-[5-(4-fluorophenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[5-(4-isocyanophenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[5-(3-methylphenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[5-(4-methylphenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide

ethyl 4-[5-[2-oxo-2-[(5-phenyl-2-pyridinyl)amino]ethyl]-3-pyridin-4-yltriazol-4-yl]benzoate;2-[5-(4-fluorophenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[5-(4-isocyanophenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[5-(3-methylphenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[5-(4-methylphenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide (PubChem CID 157268761) has the molecular formula C136H106FN31O7 and a molecular weight of 2305.55 g/mol. Its IUPAC name is ethyl 4-[5-[2-oxo-2-[(5-phenyl-2-pyridinyl)amino]ethyl]-3-pyridin-4-yltriazol-4-yl]benzoate;2-[5-(4-fluorophenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[5-(4-isocyanophenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[5-(3-methylphenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[5-(4-methylphenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Nameethyl 4-[5-[2-oxo-2-[(5-phenyl-2-pyridinyl)amino]ethyl]-3-pyridin-4-yltriazol-4-yl]benzoate;2-[5-(4-fluorophenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[5-(4-isocyanophenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[5-(3-methylphenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[5-(4-methylphenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide
PubChem CID157268761
Molecular FormulaC136H106FN31O7
Molecular Weight2305.55 g/mol
Exact Mass2303.89
IUPAC Nameethyl 4-[5-[2-oxo-2-[(5-phenyl-2-pyridinyl)amino]ethyl]-3-pyridin-4-yltriazol-4-yl]benzoate;2-[5-(4-fluorophenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[5-(4-isocyanophenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[5-(3-methylphenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[5-(4-methylphenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide
SMILESCCOC(=O)c1ccc(-c2c(CC(=O)Nc3ccc(-c4ccccc4)cn3)nnn2-c2ccncc2)cc1.Cc1ccc(-c2c(CC(=O)Nc3ccc(-c4ccccc4)cn3)nnn2-c2ccncc2)cc1.Cc1cccc(-c2c(CC(=O)Nc3ccc(-c4ccccc4)cn3)nnn2-c2ccncc2)c1.O=C(Cc1nnn(-c2ccncc2)c1-c1ccc(F)cc1)Nc1ccc(-c2ccccc2)cn1.[C-]#[N+]c1ccc(-c2c(CC(=O)Nc3ccc(-c4ccccc4)cn3)nnn2-c2ccncc2)cc1
InChIInChI=1S/C29H24N6O3.C27H19N7O.2C27H22N6O.C26H19FN6O/c1-2-38-29(37)22-10-8-21(9-11-22)28-25(33-34-35(28)24-14-16-30-17-15-24)18-27(36)32-26-13-12-23(19-31-26)20-6-4-3-5-7-20;1-28-22-10-7-20(8-11-22)27-24(32-33-34(27)23-13-15-29-16-14-23)17-26(35)31-25-12-9-21(18-30-25)19-5-3-2-4-6-19;1-19-6-5-9-21(16-19)27-24(31-32-33(27)23-12-14-28-15-13-23)17-26(34)30-25-11-10-22(18-29-25)20-7-3-2-4-8-20;1-19-7-9-21(10-8-19)27-24(31-32-33(27)23-13-15-28-16-14-23)17-26(34)30-25-12-11-22(18-29-25)20-5-3-2-4-6-20;27-21-9-6-19(7-10-21)26-23(31-32-33(26)22-12-14-28-15-13-22)16-25(34)30-24-11-8-20(17-29-24)18-4-2-1-3-5-18/h3-17,19H,2,18H2,1H3,(H,31,32,36);2-16,18H,17H2,(H,30,31,35);2*2-16,18H,17H2,1H3,(H,29,30,34);1-15,17H,16H2,(H,29,30,34)
InChIKeyAYHHOKQIVBCFSO-UHFFFAOYSA-N
XLogP24.35
TPSA458.61 Ų
H-Bond Donors5
H-Bond Acceptors32
Rotatable Bonds32
Heavy Atoms175
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002305.55
LogP ≤ 524.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze ethyl 4-[5-[2-oxo-2-[(5-phenyl-2-pyridinyl)amino]ethyl]-3-pyridin-4-yltriazol-4-yl]benzoate;2-[5-(4-fluorophenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[5-(4-isocyanophenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[5-(3-methylphenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[5-(4-methylphenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide with MolForge

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Related Compounds

1-N-methyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;methyl 3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]benzoate;3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]benzoic acid
CID 158144490
3-butoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-[3-(dimethylcarbamoyl)phenyl]-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(2-phenylethoxy)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;4-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-propoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;N-[[4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]benzamide
CID 158575830
2-(1,5-diphenyltriazol-4-yl)-N-(5-phenyl-2-pyridinyl)acetamide;2-[1-(4-methylphenyl)-5-phenyltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;N-(5-phenyl-2-pyridinyl)-2-(5-phenyl-1-pyridin-2-yltriazol-4-yl)acetamide;N-(5-phenyl-2-pyridinyl)-2-(5-phenyl-1-pyridin-3-yltriazol-4-yl)acetamide;N-(5-phenyl-2-pyridinyl)-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide;N-(5-phenyl-2-pyridinyl)-2-[5-phenyl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]acetamide
CID 159459799
4-methoxycarbonylbenzoic acid;4-(methylcarbamoyl)benzoic acid;methyl 4-(methylcarbamoyl)benzoate;1-N-methyl-4-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,4-dicarboxamide;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine
CID 160571192
2-(Diethylamino)ethyl 4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]-5-methylcyclohexene-1-carboxylate;methyl 5-fluoro-3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-2-carboxylate;methyl 4-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-(trifluoromethyl)benzoate;methyl 5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-2-methoxypyrimidine-4-carboxylate
CID 160597863
Ethyl 4-[5-[2-oxo-2-[(5-phenyl-2-pyridinyl)amino]ethyl]-3-pyridin-4-yltriazol-4-yl]benzoate
CID 134313457
4-methyl-5-[2-[4-[2-[2-methyl-6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one;4-methyl-5-[2-[4-[2-[3-methyl-5-(1,2,4-triazol-1-yl)-2-pyridinyl]acetyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one;4-methyl-5-[2-[4-[2-[2-methyl-6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanoyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one;5-[2-[4-[2-[2-methyl-6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one
CID 157587103
2-fluoro-N-[6-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide;6-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide
CID 157858008
N-[(1S,2S)-2-aminocyclohexyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(1R,2R)-2-aminocyclohexyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;ethyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylate;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 157871505
N-[(1S,2S)-2-aminocyclohexyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(1R,2R)-2-aminocyclohexyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-(2-aminoethyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;ethyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylate;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 157916788
4-methyl-5-[2-[4-[2-[6-(triazol-1-yl)-3-pyridinyl]acetyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one;5-[2-[4-[2-[4-methyl-6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one;5-[2-[(1S,4S)-5-[2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethyl]-3H-2-benzofuran-1-one;5-[2-[4-[2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one
CID 157947512
3-fluoro-2-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]pyridine-4-carboxylic acid;6-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;3-methyl-2-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]pyridine-4-carboxylic acid;6-(3-oxo-1H-2-benzofuran-5-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one
CID 157961466

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-[2-oxo-2-[(5-phenyl-2-pyridinyl)amino]ethyl]-3-pyridin-4-yltriazol-4-yl]benzoate;2-[5-(4-fluorophenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[5-(4-isocyanophenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[5-(3-methylphenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[5-(4-methylphenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide?
The IUPAC name of ethyl 4-[5-[2-oxo-2-[(5-phenyl-2-pyridinyl)amino]ethyl]-3-pyridin-4-yltriazol-4-yl]benzoate;2-[5-(4-fluorophenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[5-(4-isocyanophenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[5-(3-methylphenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[5-(4-methylphenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide (CID 157268761) is ethyl 4-[5-[2-oxo-2-[(5-phenyl-2-pyridinyl)amino]ethyl]-3-pyridin-4-yltriazol-4-yl]benzoate;2-[5-(4-fluorophenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[5-(4-isocyanophenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[5-(3-methylphenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[5-(4-methylphenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide.
What is the SMILES notation for ethyl 4-[5-[2-oxo-2-[(5-phenyl-2-pyridinyl)amino]ethyl]-3-pyridin-4-yltriazol-4-yl]benzoate;2-[5-(4-fluorophenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[5-(4-isocyanophenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[5-(3-methylphenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[5-(4-methylphenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide?
The canonical SMILES for ethyl 4-[5-[2-oxo-2-[(5-phenyl-2-pyridinyl)amino]ethyl]-3-pyridin-4-yltriazol-4-yl]benzoate;2-[5-(4-fluorophenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[5-(4-isocyanophenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[5-(3-methylphenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[5-(4-methylphenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide is CCOC(=O)c1ccc(-c2c(CC(=O)Nc3ccc(-c4ccccc4)cn3)nnn2-c2ccncc2)cc1.Cc1ccc(-c2c(CC(=O)Nc3ccc(-c4ccccc4)cn3)nnn2-c2ccncc2)cc1.Cc1cccc(-c2c(CC(=O)Nc3ccc(-c4ccccc4)cn3)nnn2-c2ccncc2)c1.O=C(Cc1nnn(-c2ccncc2)c1-c1ccc(F)cc1)Nc1ccc(-c2ccccc2)cn1.[C-]#[N+]c1ccc(-c2c(CC(=O)Nc3ccc(-c4ccccc4)cn3)nnn2-c2ccncc2)cc1.
What is the InChIKey of ethyl 4-[5-[2-oxo-2-[(5-phenyl-2-pyridinyl)amino]ethyl]-3-pyridin-4-yltriazol-4-yl]benzoate;2-[5-(4-fluorophenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[5-(4-isocyanophenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[5-(3-methylphenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[5-(4-methylphenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide?
The InChIKey is AYHHOKQIVBCFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N6O3.C27H19N7O.2C27H22N6O.C26H19FN6O/c1-2-38-29(37)22-10-8-21(9-11-22)28-25(33-34-35(28)24-14-16-30-17-15-24)18-27(36)32-26-13-12-23(19-31-26)20-6-4-3-5-7-20;1-28-22-10-7-20(8-11-22)27-24(32-33-34(27)23-13-15-29-16-14-23)17-26(35)31-25-12-9-21(18-30-25)19-5-3-2-4-6-19;1-19-6-5-9-21(16-19)27-24(31-32-33(27)23-12-14-28-15-13-23)17-26(34)30-25-11-10-22(18-29-25)20-7-3-2-4-8-20;1-19-7-9-21(10-8-19)27-24(31-32-33(27)23-13-15-28-16-14-23)17-26(34)30-25-12-11-22(18-29-25)20-5-3-2-4-6-20;27-21-9-6-19(7-10-21)26-23(31-32-33(26)22-12-14-28-15-13-22)16-25(34)30-24-11-8-20(17-29-24)18-4-2-1-3-5-18/h3-17,19H,2,18H2,1H3,(H,31,32,36);2-16,18H,17H2,(H,30,31,35);2*2-16,18H,17H2,1H3,(H,29,30,34);1-15,17H,16H2,(H,29,30,34).
What are the key properties of ethyl 4-[5-[2-oxo-2-[(5-phenyl-2-pyridinyl)amino]ethyl]-3-pyridin-4-yltriazol-4-yl]benzoate;2-[5-(4-fluorophenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[5-(4-isocyanophenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[5-(3-methylphenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[5-(4-methylphenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide?
ethyl 4-[5-[2-oxo-2-[(5-phenyl-2-pyridinyl)amino]ethyl]-3-pyridin-4-yltriazol-4-yl]benzoate;2-[5-(4-fluorophenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[5-(4-isocyanophenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[5-(3-methylphenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[5-(4-methylphenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide has a molecular weight of 2305.55 g/mol, XLogP of 24.35, 32 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-[2-oxo-2-[(5-phenyl-2-pyridinyl)amino]ethyl]-3-pyridin-4-yltriazol-4-yl]benzoate;2-[5-(4-fluorophenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[5-(4-isocyanophenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[5-(3-methylphenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[5-(4-methylphenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide is sourced from PubChem (CID 157268761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).