(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)pentan-2-one;(4S)-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one

C156H131BrF22N16O9 — CID 161036370

IUPAC(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)pentan-2-one;(4S)-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one
SMILESCC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2cc(C)c(C(F)(F)F)n2)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c(Br)c2C)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CCCC32CC2)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cccc(-c2cccnc2[C@@H](CC(=O)Cn2cnc3cc(C)c(C)cc32)Cc2cc(F)cc(F)c2)c1.Cc1ccc(-c2cncnc2[C@H](CC(=O)Cn2cnc3cc(C)c(C)cc32)Cc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C34H29F6N3O2.C33H29F2N3O2.C31H28F2N4O.C29H22BrF6N3O2.C29H23F6N3O2/c1-19(44)27-16-21(6-7-28(27)37)26-4-3-11-41-31(26)22(12-20-13-23(35)17-24(36)14-20)15-25(45)18-43-29-5-2-8-33(9-10-33)30(29)32(42-43)34(38,39)40;1-20-10-31-32(11-21(20)2)38(19-37-31)18-29(40)16-26(12-23-13-27(34)17-28(35)14-23)33-30(8-5-9-36-33)25-7-4-6-24(15-25)22(3)39;1-19-4-6-23(7-5-19)28-15-34-17-35-31(28)24(10-22-11-25(32)14-26(33)12-22)13-27(38)16-37-18-36-29-8-20(2)21(3)9-30(29)37;1-15-26(30)28(29(34,35)36)38-39(15)14-22(41)11-19(8-17-9-20(31)13-21(32)10-17)27-23(4-3-7-37-27)18-5-6-25(33)24(12-18)16(2)40;1-16-14-38(37-28(16)29(33,34)35)15-23(40)11-20(8-18-9-21(30)13-22(31)10-18)27-24(4-3-7-36-27)19-5-6-26(32)25(12-19)17(2)39/h3-4,6-7,11,13-14,16-17,22H,2,5,8-10,12,15,18H2,1H3;4-11,13-15,17,19,26H,12,16,18H2,1-3H3;4-9,11-12,14-15,17-18,24H,10,13,16H2,1-3H3;3-7,9-10,12-13,19H,8,11,14H2,1-2H3;3-7,9-10,12-14,20H,8,11,15H2,1-2H3/t22-;26-;24-;19-;20-/m11011/s1
InChIKeyUAHMZXBOOXTJCL-JWNFCMNPSA-N
MW2871.73 g/mol
LogP36.32
Rot. Bonds44

About (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)pentan-2-one;(4S)-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one

(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)pentan-2-one;(4S)-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one (PubChem CID 161036370) has the molecular formula C156H131BrF22N16O9 and a molecular weight of 2871.73 g/mol. Its IUPAC name is (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)pentan-2-one;(4S)-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one.

Molecular Properties

Compound Name(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)pentan-2-one;(4S)-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one
PubChem CID161036370
Molecular FormulaC156H131BrF22N16O9
Molecular Weight2871.73 g/mol
Exact Mass2868.91
IUPAC Name(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)pentan-2-one;(4S)-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one
SMILESCC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2cc(C)c(C(F)(F)F)n2)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c(Br)c2C)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CCCC32CC2)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cccc(-c2cccnc2[C@@H](CC(=O)Cn2cnc3cc(C)c(C)cc32)Cc2cc(F)cc(F)c2)c1.Cc1ccc(-c2cncnc2[C@H](CC(=O)Cn2cnc3cc(C)c(C)cc32)Cc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C34H29F6N3O2.C33H29F2N3O2.C31H28F2N4O.C29H22BrF6N3O2.C29H23F6N3O2/c1-19(44)27-16-21(6-7-28(27)37)26-4-3-11-41-31(26)22(12-20-13-23(35)17-24(36)14-20)15-25(45)18-43-29-5-2-8-33(9-10-33)30(29)32(42-43)34(38,39)40;1-20-10-31-32(11-21(20)2)38(19-37-31)18-29(40)16-26(12-23-13-27(34)17-28(35)14-23)33-30(8-5-9-36-33)25-7-4-6-24(15-25)22(3)39;1-19-4-6-23(7-5-19)28-15-34-17-35-31(28)24(10-22-11-25(32)14-26(33)12-22)13-27(38)16-37-18-36-29-8-20(2)21(3)9-30(29)37;1-15-26(30)28(29(34,35)36)38-39(15)14-22(41)11-19(8-17-9-20(31)13-21(32)10-17)27-23(4-3-7-37-27)18-5-6-25(33)24(12-18)16(2)40;1-16-14-38(37-28(16)29(33,34)35)15-23(40)11-20(8-18-9-21(30)13-22(31)10-18)27-24(4-3-7-36-27)19-5-6-26(32)25(12-19)17(2)39/h3-4,6-7,11,13-14,16-17,22H,2,5,8-10,12,15,18H2,1H3;4-11,13-15,17,19,26H,12,16,18H2,1-3H3;4-9,11-12,14-15,17-18,24H,10,13,16H2,1-3H3;3-7,9-10,12-13,19H,8,11,14H2,1-2H3;3-7,9-10,12-14,20H,8,11,15H2,1-2H3/t22-;26-;24-;19-;20-/m11011/s1
InChIKeyUAHMZXBOOXTJCL-JWNFCMNPSA-N
XLogP36.32
TPSA320.07 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds44
Heavy Atoms204
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002871.73
LogP ≤ 536.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)pentan-2-one;(4S)-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-[3-(3-acetamido-4-fluorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[2-fluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(4,5,6,7-tetrahydroindazol-1-yl)pentan-2-one;5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[3-(4-methylphenyl)pyrazin-2-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-(4-fluoro-3-methylphenyl)-2-pyridinyl]pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one
CID 157142748
N-[(1S)-1-[3-(3-acetamido-4-fluorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[3-(4-methylphenyl)pyrazin-2-yl]pentan-2-one;7-[5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)pyrazin-2-yl]-2-oxopentyl]-1,7-dihydrocyclopenta[b]pyridin-2-one;5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)pyrazin-2-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(1-phenylcyclopropanecarbonyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157155378
(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylisoindol-2-yl)pentan-2-one;3-[2-[(2R)-5-[6-(aminomethyl)-1H-indol-3-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-1-[[2-(5-chloroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-(5,6-dimethylbenzimidazol-1-yl)butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-7-methyl-4-oxo-5-[3-(trifluoromethyl)pyrazol-1-yl]octan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157158955
5-[3,3-dimethyl-1-(1-methylpyrazol-4-yl)-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;3-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-fluoro-6-methyl-N-(4-methylphenyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-[1-(5-fluoro-3-pyridinyl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide
CID 157356270
(4,5-Dimethyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-6-methyl-2-pyrimidin-2-ylphenyl)-[2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-fluoro-4-methyl-2-(triazol-2-yl)phenyl]-[2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 157367142
2-methyl-N-(4-methylphenyl)-5-[3-(1H-pyrazol-5-yl)imidazo[1,5-a]pyridin-8-yl]benzamide;bis(N-(4-methylphenyl)-5-(3-pyridin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide);N-(4-methylphenyl)-5-(3-pyrimidin-4-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide
CID 157377466
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(3,3-dimethylbut-1-ynyl)-5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-6-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)pentan-2-one;(4S)-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one
CID 157379812
1-[1-(2,2-Dimethylpropyl)-6-fluoro-5-(2-methylpyrimidin-5-yl)indazol-3-yl]ethanone;1-[1-(2,2-dimethylpropyl)-2-fluoro-5-(2-methylpyrimidin-5-yl)indol-3-yl]ethanone;1-[1-(2,2-dimethylpropyl)-6-fluoro-5-(2-methylpyrimidin-5-yl)indol-3-yl]ethanone;1-[1-(2,2-dimethylpropyl)-2-methyl-5-(2-methylpyrimidin-5-yl)indol-3-yl]ethanone;1-[1-(2,2-dimethylpropyl)-5-(2-methylpyrimidin-5-yl)pyrazolo[3,4-c]pyridin-3-yl]-2,2,2-trifluoroethanone
CID 157553292
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-(cyclopenten-1-yl)-3-(trifluoromethyl)-4H-pyrazol-1-ium-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-methyl-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-[3-(cyclopropylmethylsulfonyl)phenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one
CID 157646883
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)pentan-2-one;(4S)-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one
CID 157667733
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-(3-bromo-5-cyclopropyl-1,2,4-triazol-1-yl)-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-(4-chloroimidazo[4,5-c]pyridin-1-yl)-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4,4-difluoro-3-(trifluoromethyl)-5,5a,6,6a-tetrahydrocyclopropa[g]indazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methylindol-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one
CID 157684037
3-(4-methylimidazol-1-yl)-N-[4-methyl-3-[2-[8-[(1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-3-yl]ethynyl]phenyl]-5-(trifluoromethyl)benzamide;bis(N-[4-methyl-3-[2-[8-[(1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-3-yl]ethynyl]phenyl]-3-(trifluoromethyl)benzamide);1-[4-methyl-3-[2-[8-[(1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-3-yl]ethynyl]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 157789201

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)pentan-2-one;(4S)-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one?
The IUPAC name of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)pentan-2-one;(4S)-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one (CID 161036370) is (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)pentan-2-one;(4S)-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one.
What is the SMILES notation for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)pentan-2-one;(4S)-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one?
The canonical SMILES for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)pentan-2-one;(4S)-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one is CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2cc(C)c(C(F)(F)F)n2)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c(Br)c2C)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CCCC32CC2)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cccc(-c2cccnc2[C@@H](CC(=O)Cn2cnc3cc(C)c(C)cc32)Cc2cc(F)cc(F)c2)c1.Cc1ccc(-c2cncnc2[C@H](CC(=O)Cn2cnc3cc(C)c(C)cc32)Cc2cc(F)cc(F)c2)cc1.
What is the InChIKey of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)pentan-2-one;(4S)-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one?
The InChIKey is UAHMZXBOOXTJCL-JWNFCMNPSA-N. The full InChI is InChI=1S/C34H29F6N3O2.C33H29F2N3O2.C31H28F2N4O.C29H22BrF6N3O2.C29H23F6N3O2/c1-19(44)27-16-21(6-7-28(27)37)26-4-3-11-41-31(26)22(12-20-13-23(35)17-24(36)14-20)15-25(45)18-43-29-5-2-8-33(9-10-33)30(29)32(42-43)34(38,39)40;1-20-10-31-32(11-21(20)2)38(19-37-31)18-29(40)16-26(12-23-13-27(34)17-28(35)14-23)33-30(8-5-9-36-33)25-7-4-6-24(15-25)22(3)39;1-19-4-6-23(7-5-19)28-15-34-17-35-31(28)24(10-22-11-25(32)14-26(33)12-22)13-27(38)16-37-18-36-29-8-20(2)21(3)9-30(29)37;1-15-26(30)28(29(34,35)36)38-39(15)14-22(41)11-19(8-17-9-20(31)13-21(32)10-17)27-23(4-3-7-37-27)18-5-6-25(33)24(12-18)16(2)40;1-16-14-38(37-28(16)29(33,34)35)15-23(40)11-20(8-18-9-21(30)13-22(31)10-18)27-24(4-3-7-36-27)19-5-6-26(32)25(12-19)17(2)39/h3-4,6-7,11,13-14,16-17,22H,2,5,8-10,12,15,18H2,1H3;4-11,13-15,17,19,26H,12,16,18H2,1-3H3;4-9,11-12,14-15,17-18,24H,10,13,16H2,1-3H3;3-7,9-10,12-13,19H,8,11,14H2,1-2H3;3-7,9-10,12-14,20H,8,11,15H2,1-2H3/t22-;26-;24-;19-;20-/m11011/s1.
What are the key properties of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)pentan-2-one;(4S)-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one?
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)pentan-2-one;(4S)-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one has a molecular weight of 2871.73 g/mol, XLogP of 36.32, 44 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)pentan-2-one;(4S)-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one is sourced from PubChem (CID 161036370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).