About N-[(1S)-1-[3-(3,5-dichlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1H-indol-5-yl)-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-methylsulfonylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[3-(morpholine-4-carbonyl)phenyl]-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
N-[(1S)-1-[3-(3,5-dichlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1H-indol-5-yl)-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-methylsulfonylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[3-(morpholine-4-carbonyl)phenyl]-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (PubChem CID 158678534) has the molecular formula C158H138Cl2F18N20O9S
and a molecular weight of 2905.91 g/mol. Its IUPAC name is N-[(1S)-1-[3-(3,5-dichlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1H-indol-5-yl)-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-methylsulfonylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[3-(morpholine-4-carbonyl)phenyl]-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.
Frequently Asked Questions
What is the IUPAC name of N-[(1S)-1-[3-(3,5-dichlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1H-indol-5-yl)-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-methylsulfonylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[3-(morpholine-4-carbonyl)phenyl]-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The IUPAC name of N-[(1S)-1-[3-(3,5-dichlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1H-indol-5-yl)-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-methylsulfonylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[3-(morpholine-4-carbonyl)phenyl]-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (CID 158678534) is N-[(1S)-1-[3-(3,5-dichlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1H-indol-5-yl)-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-methylsulfonylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[3-(morpholine-4-carbonyl)phenyl]-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.
What is the SMILES notation for N-[(1S)-1-[3-(3,5-dichlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1H-indol-5-yl)-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-methylsulfonylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[3-(morpholine-4-carbonyl)phenyl]-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The canonical SMILES for N-[(1S)-1-[3-(3,5-dichlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1H-indol-5-yl)-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-methylsulfonylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[3-(morpholine-4-carbonyl)phenyl]-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is Cc1cc(F)cc(C[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)c2ncccc2-c2cc(Cl)cc(Cl)c2)c1.Cc1cc(F)cc(C[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)c2ncccc2-c2cccc(C)c2)c1.Cc1cc(F)cc(C[C@H](NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c2ncccc2-c2ccc(S(C)(=O)=O)cc2)c1.Cc1cc(F)cc(C[C@H](NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c2ncccc2-c2cccc(C(=O)N3CCOCC3)c2)c1.O=C(Cn1nc(C(F)F)c2c1C(F)(F)C1CC21)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc2[nH]ccc2c1.
What is the InChIKey of N-[(1S)-1-[3-(3,5-dichlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1H-indol-5-yl)-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-methylsulfonylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[3-(morpholine-4-carbonyl)phenyl]-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The InChIKey is IEVBQYFCZQUHBM-BPFMYRFOSA-N. The full InChI is InChI=1S/C35H35F4N5O3.C31H23F6N5O.C31H30F4N4O3S.C31H27F2N3O.C30H23Cl2F2N3O/c1-22-16-23(18-26(36)17-22)19-29(41-31(45)21-44-30-10-3-2-8-28(30)33(42-44)35(37,38)39)32-27(9-5-11-40-32)24-6-4-7-25(20-24)34(46)43-12-14-47-15-13-43;32-18-8-15(9-19(33)12-18)10-24(27-20(2-1-6-39-27)16-3-4-23-17(11-16)5-7-38-23)40-25(43)14-42-29-26(28(41-42)30(34)35)21-13-22(21)31(29,36)37;1-19-14-20(16-22(32)15-19)17-26(29-24(7-5-13-36-29)21-9-11-23(12-10-21)43(2,41)42)37-28(40)18-39-27-8-4-3-6-25(27)30(38-39)31(33,34)35;1-19-5-3-6-22(12-19)26-7-4-10-34-31(26)29(15-21-11-20(2)13-25(33)14-21)36-30(37)16-23-18-35-28-9-8-24(32)17-27(23)28;1-17-7-18(9-24(34)8-17)10-28(30-25(3-2-6-35-30)19-11-21(31)14-22(32)12-19)37-29(38)13-20-16-36-27-5-4-23(33)15-26(20)27/h4-7,9,11,16-18,20,29H,2-3,8,10,12-15,19,21H2,1H3,(H,41,45);1-9,11-12,21-22,24,30,38H,10,13-14H2,(H,40,43);5,7,9-16,26H,3-4,6,8,17-18H2,1-2H3,(H,37,40);3-14,17-18,29,35H,15-16H2,1-2H3,(H,36,37);2-9,11-12,14-16,28,36H,10,13H2,1H3,(H,37,38)/t29-;21?,22?,24-;26-;29-;28-/m00000/s1.
What are the key properties of N-[(1S)-1-[3-(3,5-dichlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1H-indol-5-yl)-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-methylsulfonylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[3-(morpholine-4-carbonyl)phenyl]-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
N-[(1S)-1-[3-(3,5-dichlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1H-indol-5-yl)-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-methylsulfonylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[3-(morpholine-4-carbonyl)phenyl]-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide has a molecular weight of 2905.91 g/mol, XLogP of 33.14, 38 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[3-(3,5-dichlorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1H-indol-5-yl)-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-methylsulfonylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[3-(morpholine-4-carbonyl)phenyl]-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is sourced from PubChem (CID 158678534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).