N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[2-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]ethyl]benzamide;2-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-N-[2-(4-hydroxyphenyl)ethyl]acetamide;(2R)-5-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-2-[(4-hydroxyphenyl)methyl]-4-oxopentanamide;4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide;sulfane;2,2,2-trifluoro-N-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]acetamide

C131H132F3N23O10S2 — CID 159056972

IUPACN-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[2-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]ethyl]benzamide;2-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-N-[2-(4-hydroxyphenyl)ethyl]acetamide;(2R)-5-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-2-[(4-hydroxyphenyl)methyl]-4-oxopentanamide;4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide;sulfane;2,2,2-trifluoro-N-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]acetamide
SMILESCC(C)(C)c1ccc(-n2nc(-c3cccnc3)cc2CNCC(=O)C[C@@H](Cc2ccc(O)cc2)C(N)=O)cc1.CC(C)(C)c1ccc(-n2nc(-c3cccnc3)cc2CNCC(=O)NCCc2ccc(O)cc2)cc1.Cc1ccc(-n2nc(-c3ccncc3)cc2CCc2cccc(C(=O)NC(Cc3ccc(O)cc3)C(N)=O)c2)cc1.Cc1ccc(-n2nc(-c3ccncc3)cc2NC(=O)C(F)(F)F)cc1.NC(=O)c1ccc(-c2cc(-c3cccnc3)nn2-c2ccccc2)cc1.S.S
InChIInChI=1S/C33H31N5O3.C31H35N5O3.C29H33N5O2.C21H16N4O.C17H13F3N4O.2H2S/c1-22-5-10-27(11-6-22)38-28(21-30(37-38)25-15-17-35-18-16-25)12-7-23-3-2-4-26(19-23)33(41)36-31(32(34)40)20-24-8-13-29(39)14-9-24;1-31(2,3)24-8-10-25(11-9-24)36-26(17-29(35-36)22-5-4-14-33-18-22)19-34-20-28(38)16-23(30(32)39)15-21-6-12-27(37)13-7-21;1-29(2,3)23-8-10-24(11-9-23)34-25(17-27(33-34)22-5-4-15-30-18-22)19-31-20-28(36)32-16-14-21-6-12-26(35)13-7-21;22-21(26)16-10-8-15(9-11-16)20-13-19(17-5-4-12-23-14-17)24-25(20)18-6-2-1-3-7-18;1-11-2-4-13(5-3-11)24-15(22-16(25)17(18,19)20)10-14(23-24)12-6-8-21-9-7-12;;/h2-6,8-11,13-19,21,31,39H,7,12,20H2,1H3,(H2,34,40)(H,36,41);4-14,17-18,23,34,37H,15-16,19-20H2,1-3H3,(H2,32,39);4-13,15,17-18,31,35H,14,16,19-20H2,1-3H3,(H,32,36);1-14H,(H2,22,26);2-10H,1H3,(H,22,25);2*1H2/t;23-;;;;;/m.1...../s1
InChIKeyJXZCNQDTTJIBHB-LXYGXCMPSA-N
MW2309.78 g/mol
LogP20.95
Rot. Bonds37

About N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[2-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]ethyl]benzamide;2-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-N-[2-(4-hydroxyphenyl)ethyl]acetamide;(2R)-5-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-2-[(4-hydroxyphenyl)methyl]-4-oxopentanamide;4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide;sulfane;2,2,2-trifluoro-N-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]acetamide

N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[2-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]ethyl]benzamide;2-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-N-[2-(4-hydroxyphenyl)ethyl]acetamide;(2R)-5-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-2-[(4-hydroxyphenyl)methyl]-4-oxopentanamide;4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide;sulfane;2,2,2-trifluoro-N-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]acetamide (PubChem CID 159056972) has the molecular formula C131H132F3N23O10S2 and a molecular weight of 2309.78 g/mol. Its IUPAC name is N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[2-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]ethyl]benzamide;2-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-N-[2-(4-hydroxyphenyl)ethyl]acetamide;(2R)-5-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-2-[(4-hydroxyphenyl)methyl]-4-oxopentanamide;4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide;sulfane;2,2,2-trifluoro-N-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[2-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]ethyl]benzamide;2-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-N-[2-(4-hydroxyphenyl)ethyl]acetamide;(2R)-5-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-2-[(4-hydroxyphenyl)methyl]-4-oxopentanamide;4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide;sulfane;2,2,2-trifluoro-N-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]acetamide
PubChem CID159056972
Molecular FormulaC131H132F3N23O10S2
Molecular Weight2309.78 g/mol
Exact Mass2307.99
IUPAC NameN-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[2-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]ethyl]benzamide;2-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-N-[2-(4-hydroxyphenyl)ethyl]acetamide;(2R)-5-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-2-[(4-hydroxyphenyl)methyl]-4-oxopentanamide;4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide;sulfane;2,2,2-trifluoro-N-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]acetamide
SMILESCC(C)(C)c1ccc(-n2nc(-c3cccnc3)cc2CNCC(=O)C[C@@H](Cc2ccc(O)cc2)C(N)=O)cc1.CC(C)(C)c1ccc(-n2nc(-c3cccnc3)cc2CNCC(=O)NCCc2ccc(O)cc2)cc1.Cc1ccc(-n2nc(-c3ccncc3)cc2CCc2cccc(C(=O)NC(Cc3ccc(O)cc3)C(N)=O)c2)cc1.Cc1ccc(-n2nc(-c3ccncc3)cc2NC(=O)C(F)(F)F)cc1.NC(=O)c1ccc(-c2cc(-c3cccnc3)nn2-c2ccccc2)cc1.S.S
InChIInChI=1S/C33H31N5O3.C31H35N5O3.C29H33N5O2.C21H16N4O.C17H13F3N4O.2H2S/c1-22-5-10-27(11-6-22)38-28(21-30(37-38)25-15-17-35-18-16-25)12-7-23-3-2-4-26(19-23)33(41)36-31(32(34)40)20-24-8-13-29(39)14-9-24;1-31(2,3)24-8-10-25(11-9-24)36-26(17-29(35-36)22-5-4-14-33-18-22)19-34-20-28(38)16-23(30(32)39)15-21-6-12-27(37)13-7-21;1-29(2,3)23-8-10-24(11-9-23)34-25(17-27(33-34)22-5-4-15-30-18-22)19-31-20-28(36)32-16-14-21-6-12-26(35)13-7-21;22-21(26)16-10-8-15(9-11-16)20-13-19(17-5-4-12-23-14-17)24-25(20)18-6-2-1-3-7-18;1-11-2-4-13(5-3-11)24-15(22-16(25)17(18,19)20)10-14(23-24)12-6-8-21-9-7-12;;/h2-6,8-11,13-19,21,31,39H,7,12,20H2,1H3,(H2,34,40)(H,36,41);4-14,17-18,23,34,37H,15-16,19-20H2,1-3H3,(H2,32,39);4-13,15,17-18,31,35H,14,16,19-20H2,1-3H3,(H,32,36);1-14H,(H2,22,26);2-10H,1H3,(H,22,25);2*1H2/t;23-;;;;;/m.1...../s1
InChIKeyJXZCNQDTTJIBHB-LXYGXCMPSA-N
XLogP20.95
TPSA471.94 Ų
H-Bond Donors11
H-Bond Acceptors27
Rotatable Bonds37
Heavy Atoms169
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002309.78
LogP ≤ 520.95
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1027

Analyze N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[2-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]ethyl]benzamide;2-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-N-[2-(4-hydroxyphenyl)ethyl]acetamide;(2R)-5-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-2-[(4-hydroxyphenyl)methyl]-4-oxopentanamide;4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide;sulfane;2,2,2-trifluoro-N-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]acetamide with MolForge

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Related Compounds

5-(4-Acetylphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[(4-tert-butylphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[(4-cyclohexylphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-pyridin-4-ylpyrrolidine-2,3-dione;4-[hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione
CID 159643871
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
4-cyano-N-[3-pyridin-4-yl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]pyrazol-5-yl]benzamide;N-[1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-ylpyrazol-5-yl]acetamide;N-[1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-ylpyrazol-5-yl]butanamide;N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)acetamide;N-[3-pyridin-4-yl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]pyrazol-5-yl]pyridine-4-carboxamide
CID 159756995
N-(1-adamantylmethyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;2-chloro-6-methyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-4-carboxamide;N-(3-ethoxypropyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;3-ethoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;N-[3-(4-hydroxyphenyl)propyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;3-methoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;N-(oxan-4-ylmethyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 159972324
2-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-N-[2-(4-hydroxyphenyl)ethyl]acetamide;1-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]pyrrolidin-2-one;4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide;2,2,2-trifluoro-N-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]acetamide
CID 160306985
5-[4-[4-[2-(Dimethylamino)ethyl]piperazin-1-yl]phenyl]-4-[hydroxy-(4-methylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-5-(4-propan-2-ylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-5-(4-methoxyphenyl)-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
CID 160622562
N-[2-(3,5-dimethyl-2-pyridinyl)ethyl]-3-[3-[(3-fluoro-4-hydroxyphenyl)methylcarbamoyl]-5-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]phenyl]-5-[[4-methyl-5-[6-[3-[[[3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]benzoyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-7-yl]pyrimidin-4-yl]-1,2,4-triazol-3-yl]methylamino]benzamide
CID 166874791
5-[[6-[(2R,6S)-2,6-dimethyloxan-4-yl]-3-pyridinyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-(4-fluoropiperidin-1-yl)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 160219889
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2,3-difluoro-5-methylphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2,3-difluorophenyl)methanone;bis([(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2,5-dimethylphenyl)methanone);[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-hydroxyphenyl)methanone;isoquinolin-1-yl-[(2R)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]cyclohexyl]methanone
CID 160381220
N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[2-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]ethyl]benzamide;(2R)-5-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-2-[(4-hydroxyphenyl)methyl]-4-oxopentanamide;methyl 5-(3-chlorophenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;bis(4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide);3-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)pyridine;sulfane
CID 160649464
N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(1-butyl-3-isoquinolin-3-ylpyrazol-5-yl)benzamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-tert-butylphenyl)-5-pyridin-3-ylpyrazol-3-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pentanamide
CID 160720264
N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[2-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]ethyl]benzamide;(2R)-5-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-2-[(4-hydroxyphenyl)methyl]-4-oxopentanamide;methyl 5-(3-chlorophenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;methyl 5-(3-hydroxyphenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide;4-(1-pyridin-2-yl-3-pyridin-3-ylpyrazol-5-yl)benzamide;sulfane
CID 161178448

Frequently Asked Questions

What is the IUPAC name of N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[2-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]ethyl]benzamide;2-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-N-[2-(4-hydroxyphenyl)ethyl]acetamide;(2R)-5-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-2-[(4-hydroxyphenyl)methyl]-4-oxopentanamide;4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide;sulfane;2,2,2-trifluoro-N-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]acetamide?
The IUPAC name of N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[2-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]ethyl]benzamide;2-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-N-[2-(4-hydroxyphenyl)ethyl]acetamide;(2R)-5-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-2-[(4-hydroxyphenyl)methyl]-4-oxopentanamide;4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide;sulfane;2,2,2-trifluoro-N-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]acetamide (CID 159056972) is N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[2-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]ethyl]benzamide;2-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-N-[2-(4-hydroxyphenyl)ethyl]acetamide;(2R)-5-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-2-[(4-hydroxyphenyl)methyl]-4-oxopentanamide;4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide;sulfane;2,2,2-trifluoro-N-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]acetamide.
What is the SMILES notation for N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[2-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]ethyl]benzamide;2-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-N-[2-(4-hydroxyphenyl)ethyl]acetamide;(2R)-5-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-2-[(4-hydroxyphenyl)methyl]-4-oxopentanamide;4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide;sulfane;2,2,2-trifluoro-N-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]acetamide?
The canonical SMILES for N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[2-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]ethyl]benzamide;2-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-N-[2-(4-hydroxyphenyl)ethyl]acetamide;(2R)-5-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-2-[(4-hydroxyphenyl)methyl]-4-oxopentanamide;4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide;sulfane;2,2,2-trifluoro-N-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]acetamide is CC(C)(C)c1ccc(-n2nc(-c3cccnc3)cc2CNCC(=O)C[C@@H](Cc2ccc(O)cc2)C(N)=O)cc1.CC(C)(C)c1ccc(-n2nc(-c3cccnc3)cc2CNCC(=O)NCCc2ccc(O)cc2)cc1.Cc1ccc(-n2nc(-c3ccncc3)cc2CCc2cccc(C(=O)NC(Cc3ccc(O)cc3)C(N)=O)c2)cc1.Cc1ccc(-n2nc(-c3ccncc3)cc2NC(=O)C(F)(F)F)cc1.NC(=O)c1ccc(-c2cc(-c3cccnc3)nn2-c2ccccc2)cc1.S.S.
What is the InChIKey of N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[2-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]ethyl]benzamide;2-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-N-[2-(4-hydroxyphenyl)ethyl]acetamide;(2R)-5-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-2-[(4-hydroxyphenyl)methyl]-4-oxopentanamide;4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide;sulfane;2,2,2-trifluoro-N-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]acetamide?
The InChIKey is JXZCNQDTTJIBHB-LXYGXCMPSA-N. The full InChI is InChI=1S/C33H31N5O3.C31H35N5O3.C29H33N5O2.C21H16N4O.C17H13F3N4O.2H2S/c1-22-5-10-27(11-6-22)38-28(21-30(37-38)25-15-17-35-18-16-25)12-7-23-3-2-4-26(19-23)33(41)36-31(32(34)40)20-24-8-13-29(39)14-9-24;1-31(2,3)24-8-10-25(11-9-24)36-26(17-29(35-36)22-5-4-14-33-18-22)19-34-20-28(38)16-23(30(32)39)15-21-6-12-27(37)13-7-21;1-29(2,3)23-8-10-24(11-9-23)34-25(17-27(33-34)22-5-4-15-30-18-22)19-31-20-28(36)32-16-14-21-6-12-26(35)13-7-21;22-21(26)16-10-8-15(9-11-16)20-13-19(17-5-4-12-23-14-17)24-25(20)18-6-2-1-3-7-18;1-11-2-4-13(5-3-11)24-15(22-16(25)17(18,19)20)10-14(23-24)12-6-8-21-9-7-12;;/h2-6,8-11,13-19,21,31,39H,7,12,20H2,1H3,(H2,34,40)(H,36,41);4-14,17-18,23,34,37H,15-16,19-20H2,1-3H3,(H2,32,39);4-13,15,17-18,31,35H,14,16,19-20H2,1-3H3,(H,32,36);1-14H,(H2,22,26);2-10H,1H3,(H,22,25);2*1H2/t;23-;;;;;/m.1...../s1.
What are the key properties of N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[2-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]ethyl]benzamide;2-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-N-[2-(4-hydroxyphenyl)ethyl]acetamide;(2R)-5-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-2-[(4-hydroxyphenyl)methyl]-4-oxopentanamide;4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide;sulfane;2,2,2-trifluoro-N-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]acetamide?
N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[2-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]ethyl]benzamide;2-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-N-[2-(4-hydroxyphenyl)ethyl]acetamide;(2R)-5-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-2-[(4-hydroxyphenyl)methyl]-4-oxopentanamide;4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide;sulfane;2,2,2-trifluoro-N-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]acetamide has a molecular weight of 2309.78 g/mol, XLogP of 20.95, 37 rotatable bonds, 11 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[2-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]ethyl]benzamide;2-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-N-[2-(4-hydroxyphenyl)ethyl]acetamide;(2R)-5-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-2-[(4-hydroxyphenyl)methyl]-4-oxopentanamide;4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide;sulfane;2,2,2-trifluoro-N-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]acetamide is sourced from PubChem (CID 159056972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).