(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-[(dimethylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-ethenyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-7H-pyrrolo[2,3-b]pyridin-6-one;(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-[2-(3H-1,2,4-triazol-5-yl)-4-pyridinyl]-2-pyridinyl]pentan-2-one;4-[1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-yl]-5-(4-methylphenyl)-1H-pyrimidin-6-one

C154H127F22N19O10 — CID 158501036

IUPAC(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-[(dimethylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-ethenyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-7H-pyrrolo[2,3-b]pyridin-6-one;(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-[2-(3H-1,2,4-triazol-5-yl)-4-pyridinyl]-2-pyridinyl]pentan-2-one;4-[1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-yl]-5-(4-methylphenyl)-1H-pyrimidin-6-one
SMILESC=Cc1cn(CC(=O)C[C@@H](Cc2cc(F)cc(F)c2)c2ncccc2-c2ccc(F)c(C(C)=O)c2)nc1C(F)(F)F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2cc(CN(C)C)c(C(F)(F)F)n2)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cccc(-c2cccnc2[C@@H](CC(=O)Cn2ccc3ccc(=O)[nH]c32)Cc2cc(F)cc(F)c2)c1.Cc1ccc(-c2c(C(CC(=O)Cn3nc(C(F)(F)F)c4c3CCCC4)Cc3cc(F)cc(F)c3)nc[nH]c2=O)cc1.O=C(CC1=CCc2ccc(F)cc21)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccnc(C2=NCN=N2)c1
InChIInChI=1S/C32H24F3N5O.C31H28F6N4O2.C31H25F2N3O3.C30H23F6N3O2.C30H27F5N4O2/c33-24-6-5-20-3-4-21(29(20)17-24)13-27(41)14-23(10-19-11-25(34)16-26(35)12-19)31-28(2-1-8-37-31)22-7-9-36-30(15-22)32-38-18-39-40-32;1-18(42)27-13-20(6-7-28(27)34)26-5-4-8-38-29(26)21(9-19-10-23(32)14-24(33)11-19)12-25(43)17-41-16-22(15-40(2)3)30(39-41)31(35,36)37;1-19(37)22-4-2-5-23(15-22)28-6-3-10-34-30(28)24(12-20-13-25(32)17-26(33)14-20)16-27(38)18-36-11-9-21-7-8-29(39)35-31(21)36;1-3-19-15-39(38-29(19)30(34,35)36)16-24(41)12-21(9-18-10-22(31)14-23(32)11-18)28-25(5-4-8-37-28)20-6-7-27(33)26(13-20)17(2)40;1-17-6-8-19(9-7-17)26-27(36-16-37-29(26)41)20(10-18-11-21(31)14-22(32)12-18)13-23(40)15-39-25-5-3-2-4-24(25)28(38-39)30(33,34)35/h1-2,4-9,11-12,15-17,23H,3,10,13-14,18H2;4-8,10-11,13-14,16,21H,9,12,15,17H2,1-3H3;2-11,13-15,17,24H,12,16,18H2,1H3,(H,35,39);3-8,10-11,13-15,21H,1,9,12,16H2,2H3;6-9,11-12,14,16,20H,2-5,10,13,15H2,1H3,(H,36,37,41)/t23-;21-;24-;21-;/m1111./s1
InChIKeyHJWYINBOZMTOOI-WVHIXIAXSA-N
MW2821.79 g/mol
LogP32.85
Rot. Bonds47

About (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-[(dimethylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-ethenyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-7H-pyrrolo[2,3-b]pyridin-6-one;(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-[2-(3H-1,2,4-triazol-5-yl)-4-pyridinyl]-2-pyridinyl]pentan-2-one;4-[1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-yl]-5-(4-methylphenyl)-1H-pyrimidin-6-one

(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-[(dimethylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-ethenyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-7H-pyrrolo[2,3-b]pyridin-6-one;(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-[2-(3H-1,2,4-triazol-5-yl)-4-pyridinyl]-2-pyridinyl]pentan-2-one;4-[1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-yl]-5-(4-methylphenyl)-1H-pyrimidin-6-one (PubChem CID 158501036) has the molecular formula C154H127F22N19O10 and a molecular weight of 2821.79 g/mol. Its IUPAC name is (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-[(dimethylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-ethenyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-7H-pyrrolo[2,3-b]pyridin-6-one;(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-[2-(3H-1,2,4-triazol-5-yl)-4-pyridinyl]-2-pyridinyl]pentan-2-one;4-[1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-yl]-5-(4-methylphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-[(dimethylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-ethenyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-7H-pyrrolo[2,3-b]pyridin-6-one;(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-[2-(3H-1,2,4-triazol-5-yl)-4-pyridinyl]-2-pyridinyl]pentan-2-one;4-[1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-yl]-5-(4-methylphenyl)-1H-pyrimidin-6-one
PubChem CID158501036
Molecular FormulaC154H127F22N19O10
Molecular Weight2821.79 g/mol
Exact Mass2819.97
IUPAC Name(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-[(dimethylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-ethenyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-7H-pyrrolo[2,3-b]pyridin-6-one;(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-[2-(3H-1,2,4-triazol-5-yl)-4-pyridinyl]-2-pyridinyl]pentan-2-one;4-[1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-yl]-5-(4-methylphenyl)-1H-pyrimidin-6-one
SMILESC=Cc1cn(CC(=O)C[C@@H](Cc2cc(F)cc(F)c2)c2ncccc2-c2ccc(F)c(C(C)=O)c2)nc1C(F)(F)F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2cc(CN(C)C)c(C(F)(F)F)n2)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cccc(-c2cccnc2[C@@H](CC(=O)Cn2ccc3ccc(=O)[nH]c32)Cc2cc(F)cc(F)c2)c1.Cc1ccc(-c2c(C(CC(=O)Cn3nc(C(F)(F)F)c4c3CCCC4)Cc3cc(F)cc(F)c3)nc[nH]c2=O)cc1.O=C(CC1=CCc2ccc(F)cc21)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccnc(C2=NCN=N2)c1
InChIInChI=1S/C32H24F3N5O.C31H28F6N4O2.C31H25F2N3O3.C30H23F6N3O2.C30H27F5N4O2/c33-24-6-5-20-3-4-21(29(20)17-24)13-27(41)14-23(10-19-11-25(34)16-26(35)12-19)31-28(2-1-8-37-31)22-7-9-36-30(15-22)32-38-18-39-40-32;1-18(42)27-13-20(6-7-28(27)34)26-5-4-8-38-29(26)21(9-19-10-23(32)14-24(33)11-19)12-25(43)17-41-16-22(15-40(2)3)30(39-41)31(35,36)37;1-19(37)22-4-2-5-23(15-22)28-6-3-10-34-30(28)24(12-20-13-25(32)17-26(33)14-20)16-27(38)18-36-11-9-21-7-8-29(39)35-31(21)36;1-3-19-15-39(38-29(19)30(34,35)36)16-24(41)12-21(9-18-10-22(31)14-23(32)11-18)28-25(5-4-8-37-28)20-6-7-27(33)26(13-20)17(2)40;1-17-6-8-19(9-7-17)26-27(36-16-37-29(26)41)20(10-18-11-21(31)14-22(32)12-18)13-23(40)15-39-25-5-3-2-4-24(25)28(38-39)30(33,34)35/h1-2,4-9,11-12,15-17,23H,3,10,13-14,18H2;4-8,10-11,13-14,16,21H,9,12,15,17H2,1-3H3;2-11,13-15,17,24H,12,16,18H2,1H3,(H,35,39);3-8,10-11,13-15,21H,1,9,12,16H2,2H3;6-9,11-12,14,16,20H,2-5,10,13,15H2,1H3,(H,36,37,41)/t23-;21-;24-;21-;/m1111./s1
InChIKeyHJWYINBOZMTOOI-WVHIXIAXSA-N
XLogP32.85
TPSA378.33 Ų
H-Bond Donors2
H-Bond Acceptors27
Rotatable Bonds47
Heavy Atoms205
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002821.79
LogP ≤ 532.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1027

Analyze (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-[(dimethylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-ethenyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-7H-pyrrolo[2,3-b]pyridin-6-one;(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-[2-(3H-1,2,4-triazol-5-yl)-4-pyridinyl]-2-pyridinyl]pentan-2-one;4-[1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-yl]-5-(4-methylphenyl)-1H-pyrimidin-6-one with MolForge

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Launch Full Analysis

Related Compounds

7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(2-fluoro-4-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 90694265
7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-fluoro-4-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 90758816
7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-fluoro-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-isocyano-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 90773520
7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-fluoro-4-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 91048667
7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(2-fluoro-4-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(2-isocyano-4-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 91095611
3-[(4-acetylbenzoyl)amino]-2-methyl-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-1-methyl-3-[[4-(2H-tetrazol-5-yl)benzoyl]amino]pyrazolo[4,5-d]pyrimidine-7-carboxamide
CID 91231290
7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-fluoro-4-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-isocyano-4-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 91467421
7-N-[(1S)-5-acetyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-fluoro-4-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-isocyano-4-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 91495532
(S)-2-(3-(difluoromethyl)-4,4,7,7-tetrafluoro-4,5,6,7-tetrahydro-1H-indazol-1-yl)-N-(2-(3,5-difluorophenyl)-1-(2-((2-methylpyridin-4-yl)ethynyl)-5-(3-oxoisoindolin-5-yl)pyrimidin-4-yl)ethyl)acetamide
CID 118955205
2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[2-(3,5-difluorophenyl)-1-[2-[2-(2-methylpyridin-4-yl)ethynyl]-5-(3-oxo-1,2-dihydroisoindol-5-yl)pyrimidin-4-yl]ethyl]acetamide
CID 118955207
[5-Methyl-2-[2-[[3-methyl-1-[5-methyl-2-(3-methylpyrazol-1-yl)benzoyl]-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-4-yl]methyl]-4-pyridinyl]phenyl]-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 123407128
[3-Methyl-4-[[4-[4-methyl-2-[3-methyl-2-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidine-1-carbonyl]phenyl]pyrazol-1-yl]methyl]-2-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidin-1-yl]-(5-methyl-2-pyridin-3-ylphenyl)methanone
CID 123596889

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-[(dimethylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-ethenyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-7H-pyrrolo[2,3-b]pyridin-6-one;(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-[2-(3H-1,2,4-triazol-5-yl)-4-pyridinyl]-2-pyridinyl]pentan-2-one;4-[1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-yl]-5-(4-methylphenyl)-1H-pyrimidin-6-one?
The IUPAC name of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-[(dimethylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-ethenyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-7H-pyrrolo[2,3-b]pyridin-6-one;(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-[2-(3H-1,2,4-triazol-5-yl)-4-pyridinyl]-2-pyridinyl]pentan-2-one;4-[1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-yl]-5-(4-methylphenyl)-1H-pyrimidin-6-one (CID 158501036) is (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-[(dimethylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-ethenyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-7H-pyrrolo[2,3-b]pyridin-6-one;(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-[2-(3H-1,2,4-triazol-5-yl)-4-pyridinyl]-2-pyridinyl]pentan-2-one;4-[1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-yl]-5-(4-methylphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-[(dimethylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-ethenyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-7H-pyrrolo[2,3-b]pyridin-6-one;(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-[2-(3H-1,2,4-triazol-5-yl)-4-pyridinyl]-2-pyridinyl]pentan-2-one;4-[1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-yl]-5-(4-methylphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-[(dimethylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-ethenyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-7H-pyrrolo[2,3-b]pyridin-6-one;(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-[2-(3H-1,2,4-triazol-5-yl)-4-pyridinyl]-2-pyridinyl]pentan-2-one;4-[1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-yl]-5-(4-methylphenyl)-1H-pyrimidin-6-one is C=Cc1cn(CC(=O)C[C@@H](Cc2cc(F)cc(F)c2)c2ncccc2-c2ccc(F)c(C(C)=O)c2)nc1C(F)(F)F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2cc(CN(C)C)c(C(F)(F)F)n2)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cccc(-c2cccnc2[C@@H](CC(=O)Cn2ccc3ccc(=O)[nH]c32)Cc2cc(F)cc(F)c2)c1.Cc1ccc(-c2c(C(CC(=O)Cn3nc(C(F)(F)F)c4c3CCCC4)Cc3cc(F)cc(F)c3)nc[nH]c2=O)cc1.O=C(CC1=CCc2ccc(F)cc21)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccnc(C2=NCN=N2)c1.
What is the InChIKey of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-[(dimethylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-ethenyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-7H-pyrrolo[2,3-b]pyridin-6-one;(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-[2-(3H-1,2,4-triazol-5-yl)-4-pyridinyl]-2-pyridinyl]pentan-2-one;4-[1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-yl]-5-(4-methylphenyl)-1H-pyrimidin-6-one?
The InChIKey is HJWYINBOZMTOOI-WVHIXIAXSA-N. The full InChI is InChI=1S/C32H24F3N5O.C31H28F6N4O2.C31H25F2N3O3.C30H23F6N3O2.C30H27F5N4O2/c33-24-6-5-20-3-4-21(29(20)17-24)13-27(41)14-23(10-19-11-25(34)16-26(35)12-19)31-28(2-1-8-37-31)22-7-9-36-30(15-22)32-38-18-39-40-32;1-18(42)27-13-20(6-7-28(27)34)26-5-4-8-38-29(26)21(9-19-10-23(32)14-24(33)11-19)12-25(43)17-41-16-22(15-40(2)3)30(39-41)31(35,36)37;1-19(37)22-4-2-5-23(15-22)28-6-3-10-34-30(28)24(12-20-13-25(32)17-26(33)14-20)16-27(38)18-36-11-9-21-7-8-29(39)35-31(21)36;1-3-19-15-39(38-29(19)30(34,35)36)16-24(41)12-21(9-18-10-22(31)14-23(32)11-18)28-25(5-4-8-37-28)20-6-7-27(33)26(13-20)17(2)40;1-17-6-8-19(9-7-17)26-27(36-16-37-29(26)41)20(10-18-11-21(31)14-22(32)12-18)13-23(40)15-39-25-5-3-2-4-24(25)28(38-39)30(33,34)35/h1-2,4-9,11-12,15-17,23H,3,10,13-14,18H2;4-8,10-11,13-14,16,21H,9,12,15,17H2,1-3H3;2-11,13-15,17,24H,12,16,18H2,1H3,(H,35,39);3-8,10-11,13-15,21H,1,9,12,16H2,2H3;6-9,11-12,14,16,20H,2-5,10,13,15H2,1H3,(H,36,37,41)/t23-;21-;24-;21-;/m1111./s1.
What are the key properties of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-[(dimethylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-ethenyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-7H-pyrrolo[2,3-b]pyridin-6-one;(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-[2-(3H-1,2,4-triazol-5-yl)-4-pyridinyl]-2-pyridinyl]pentan-2-one;4-[1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-yl]-5-(4-methylphenyl)-1H-pyrimidin-6-one?
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-[(dimethylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-ethenyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-7H-pyrrolo[2,3-b]pyridin-6-one;(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-[2-(3H-1,2,4-triazol-5-yl)-4-pyridinyl]-2-pyridinyl]pentan-2-one;4-[1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-yl]-5-(4-methylphenyl)-1H-pyrimidin-6-one has a molecular weight of 2821.79 g/mol, XLogP of 32.85, 47 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-[(dimethylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-ethenyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-7H-pyrrolo[2,3-b]pyridin-6-one;(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-[2-(3H-1,2,4-triazol-5-yl)-4-pyridinyl]-2-pyridinyl]pentan-2-one;4-[1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-yl]-5-(4-methylphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 158501036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).