N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-isoquinolin-1-yl-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide

C136H128F6N28O18S — CID 158613184

IUPACN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-isoquinolin-1-yl-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(=O)NC2CC2)n(-c2ccc(C(F)(F)F)cn2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccc(C(F)(F)F)cn2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2nccc3ccccc23)n1.Cc1cc(C)nc(-n2nc(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1.Cc1ccc(-n2nc(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)nc1.Cc1nc(-c2ccccc2)c(C(=O)NC(Cc2ccccc2)C(=O)C(=O)NC2CC2)s1
InChIInChI=1S/C24H22F3N5O3.C24H21N5O3.C24H23N3O3S.C22H23N5O3.C21H18F3N5O3.C21H21N5O3/c1-14-11-19(32(31-14)20-10-7-16(13-28-20)24(25,26)27)22(34)30-18(12-15-5-3-2-4-6-15)21(33)23(35)29-17-8-9-17;1-15-13-20(29(28-15)23-18-10-6-5-9-17(18)11-12-26-23)24(32)27-19(21(30)22(25)31)14-16-7-3-2-4-8-16;1-15-25-20(17-10-6-3-7-11-17)22(31-15)24(30)27-19(14-16-8-4-2-5-9-16)21(28)23(29)26-18-12-13-18;1-13-9-14(2)24-19(10-13)27-18(11-15(3)26-27)22(30)25-17(20(28)21(23)29)12-16-7-5-4-6-8-16;1-12-9-16(29(28-12)17-8-7-14(11-26-17)21(22,23)24)20(32)27-15(18(30)19(25)31)10-13-5-3-2-4-6-13;1-13-8-9-18(23-12-13)26-17(10-14(2)25-26)21(29)24-16(19(27)20(22)28)11-15-6-4-3-5-7-15/h2-7,10-11,13,17-18H,8-9,12H2,1H3,(H,29,35)(H,30,34);2-13,19H,14H2,1H3,(H2,25,31)(H,27,32);2-11,18-19H,12-14H2,1H3,(H,26,29)(H,27,30);4-11,17H,12H2,1-3H3,(H2,23,29)(H,25,30);2-9,11,15H,10H2,1H3,(H2,25,31)(H,27,32);3-10,12,16H,11H2,1-2H3,(H2,22,28)(H,24,29)
InChIKeyHXBVMYSVTWRLDU-UHFFFAOYSA-N
MW2588.75 g/mol
LogP13.07
Rot. Bonds44

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-isoquinolin-1-yl-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-isoquinolin-1-yl-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide (PubChem CID 158613184) has the molecular formula C136H128F6N28O18S and a molecular weight of 2588.75 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-isoquinolin-1-yl-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-isoquinolin-1-yl-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
PubChem CID158613184
Molecular FormulaC136H128F6N28O18S
Molecular Weight2588.75 g/mol
Exact Mass2586.96
IUPAC NameN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-isoquinolin-1-yl-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(=O)NC2CC2)n(-c2ccc(C(F)(F)F)cn2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccc(C(F)(F)F)cn2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2nccc3ccccc23)n1.Cc1cc(C)nc(-n2nc(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1.Cc1ccc(-n2nc(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)nc1.Cc1nc(-c2ccccc2)c(C(=O)NC(Cc2ccccc2)C(=O)C(=O)NC2CC2)s1
InChIInChI=1S/C24H22F3N5O3.C24H21N5O3.C24H23N3O3S.C22H23N5O3.C21H18F3N5O3.C21H21N5O3/c1-14-11-19(32(31-14)20-10-7-16(13-28-20)24(25,26)27)22(34)30-18(12-15-5-3-2-4-6-15)21(33)23(35)29-17-8-9-17;1-15-13-20(29(28-15)23-18-10-6-5-9-17(18)11-12-26-23)24(32)27-19(21(30)22(25)31)14-16-7-3-2-4-8-16;1-15-25-20(17-10-6-3-7-11-17)22(31-15)24(30)27-19(14-16-8-4-2-5-9-16)21(28)23(29)26-18-12-13-18;1-13-9-14(2)24-19(10-13)27-18(11-15(3)26-27)22(30)25-17(20(28)21(23)29)12-16-7-5-4-6-8-16;1-12-9-16(29(28-12)17-8-7-14(11-26-17)21(22,23)24)20(32)27-15(18(30)19(25)31)10-13-5-3-2-4-6-13;1-13-8-9-18(23-12-13)26-17(10-14(2)25-26)21(29)24-16(19(27)20(22)28)11-15-6-4-3-5-7-15/h2-7,10-11,13,17-18H,8-9,12H2,1H3,(H,29,35)(H,30,34);2-13,19H,14H2,1H3,(H2,25,31)(H,27,32);2-11,18-19H,12-14H2,1H3,(H,26,29)(H,27,30);4-11,17H,12H2,1-3H3,(H2,23,29)(H,25,30);2-9,11,15H,10H2,1H3,(H2,25,31)(H,27,32);3-10,12,16H,11H2,1-2H3,(H2,22,28)(H,24,29)
InChIKeyHXBVMYSVTWRLDU-UHFFFAOYSA-N
XLogP13.07
TPSA674.02 Ų
H-Bond Donors12
H-Bond Acceptors35
Rotatable Bonds44
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002588.75
LogP ≤ 513.07
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-isoquinolin-1-yl-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide with MolForge

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Related Compounds

1-[2-[1-[2-(4-fluorophenyl)ethyl]triazol-4-yl]-4-methyl-1,3-thiazol-5-yl]-3-pyridin-3-ylpropan-1-one;3-[(4-fluorophenyl)methyl]-1-[5-methyl-4-(3-phenylpropanoyl)-1H-imidazol-2-yl]piperidin-2-one;3-[(4-fluorophenyl)methyl]-1-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]pyrrolidin-2-one;3-(4-fluorophenyl)-1-[1-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]triazol-4-yl]propan-1-one;1-[4-methyl-2-[1-[2-(N-methylanilino)ethyl]pyrazol-3-yl]-1,3-thiazol-5-yl]-3-pyridin-3-ylpropan-1-one;1-[4-methyl-2-[6-(2-phenylethyl)pyrazin-2-yl]-1,3-thiazol-5-yl]-3-phenylpropan-1-one;1-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-one
CID 157491500
CID 157522729
CID 157522729
3,5-dimethyl-N-[(1S)-1-[8-[2-(1-methylpyrazol-4-yl)ethynyl]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazine-2-carboxamide;2-methyl-N-[(1S)-1-[8-[2-(4-methyl-1,3-thiazol-5-yl)ethynyl]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-[2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethynyl]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 158946876
CID 159017797
CID 159017797
CID 159056655
CID 159056655
4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylpropyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1S)-1-cyclopropylpropyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(dicyclopropylmethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide
CID 159606673
CID 160389240
CID 160389240
3-[[6-[3-(1,1-difluoroethyl)benzoyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methyl]-1-methylpyrrolidin-2-one;1-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-[(3-ethynylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;2-(3,5-dimethylpyrazol-1-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine;1-[6-(3,5-dimethylpyrazol-1-yl)-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]ethanone
CID 160705849
CID 161094977
CID 161094977
CID 161168152
CID 161168152
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-cyclopropyl-3-(6-isocyano-3-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-cyclopropyl-3-(6-methyl-3-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(pyrazolo[4,5-c]pyridin-1-ylmethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-4-ylpyrazole-3-carboxamide;(6S)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-5-azaspiro[2.4]heptane-6-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-pyrimidin-2-yl-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 161493008
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-fluoro-5-methyl-2-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-5-yl)methanone
CID 161900518

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-isoquinolin-1-yl-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide?
The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-isoquinolin-1-yl-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide (CID 158613184) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-isoquinolin-1-yl-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-isoquinolin-1-yl-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide?
The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-isoquinolin-1-yl-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide is Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(=O)NC2CC2)n(-c2ccc(C(F)(F)F)cn2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccc(C(F)(F)F)cn2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2nccc3ccccc23)n1.Cc1cc(C)nc(-n2nc(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1.Cc1ccc(-n2nc(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)nc1.Cc1nc(-c2ccccc2)c(C(=O)NC(Cc2ccccc2)C(=O)C(=O)NC2CC2)s1.
What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-isoquinolin-1-yl-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide?
The InChIKey is HXBVMYSVTWRLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O3.C24H21N5O3.C24H23N3O3S.C22H23N5O3.C21H18F3N5O3.C21H21N5O3/c1-14-11-19(32(31-14)20-10-7-16(13-28-20)24(25,26)27)22(34)30-18(12-15-5-3-2-4-6-15)21(33)23(35)29-17-8-9-17;1-15-13-20(29(28-15)23-18-10-6-5-9-17(18)11-12-26-23)24(32)27-19(21(30)22(25)31)14-16-7-3-2-4-8-16;1-15-25-20(17-10-6-3-7-11-17)22(31-15)24(30)27-19(14-16-8-4-2-5-9-16)21(28)23(29)26-18-12-13-18;1-13-9-14(2)24-19(10-13)27-18(11-15(3)26-27)22(30)25-17(20(28)21(23)29)12-16-7-5-4-6-8-16;1-12-9-16(29(28-12)17-8-7-14(11-26-17)21(22,23)24)20(32)27-15(18(30)19(25)31)10-13-5-3-2-4-6-13;1-13-8-9-18(23-12-13)26-17(10-14(2)25-26)21(29)24-16(19(27)20(22)28)11-15-6-4-3-5-7-15/h2-7,10-11,13,17-18H,8-9,12H2,1H3,(H,29,35)(H,30,34);2-13,19H,14H2,1H3,(H2,25,31)(H,27,32);2-11,18-19H,12-14H2,1H3,(H,26,29)(H,27,30);4-11,17H,12H2,1-3H3,(H2,23,29)(H,25,30);2-9,11,15H,10H2,1H3,(H2,25,31)(H,27,32);3-10,12,16H,11H2,1-2H3,(H2,22,28)(H,24,29).
What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-isoquinolin-1-yl-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide?
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-isoquinolin-1-yl-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide has a molecular weight of 2588.75 g/mol, XLogP of 13.07, 44 rotatable bonds, 12 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-isoquinolin-1-yl-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide is sourced from PubChem (CID 158613184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).