About 4-[4-(3-acetyl-4-fluorophenyl)pyridazin-3-yl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;2-cyclopropyl-N-[4-[2-[(1S)-1-[[2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]phenyl]acetamide;(4R)-5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-(3-quinolin-3-yl-2-pyridinyl)ethyl]acetamide
4-[4-(3-acetyl-4-fluorophenyl)pyridazin-3-yl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;2-cyclopropyl-N-[4-[2-[(1S)-1-[[2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]phenyl]acetamide;(4R)-5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-(3-quinolin-3-yl-2-pyridinyl)ethyl]acetamide (PubChem CID 159113502) has the molecular formula C159H132F22N20O10
and a molecular weight of 2900.89 g/mol. Its IUPAC name is 4-[4-(3-acetyl-4-fluorophenyl)pyridazin-3-yl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;2-cyclopropyl-N-[4-[2-[(1S)-1-[[2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]phenyl]acetamide;(4R)-5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-(3-quinolin-3-yl-2-pyridinyl)ethyl]acetamide.
Frequently Asked Questions
What is the IUPAC name of 4-[4-(3-acetyl-4-fluorophenyl)pyridazin-3-yl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;2-cyclopropyl-N-[4-[2-[(1S)-1-[[2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]phenyl]acetamide;(4R)-5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-(3-quinolin-3-yl-2-pyridinyl)ethyl]acetamide?
The IUPAC name of 4-[4-(3-acetyl-4-fluorophenyl)pyridazin-3-yl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;2-cyclopropyl-N-[4-[2-[(1S)-1-[[2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]phenyl]acetamide;(4R)-5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-(3-quinolin-3-yl-2-pyridinyl)ethyl]acetamide (CID 159113502) is 4-[4-(3-acetyl-4-fluorophenyl)pyridazin-3-yl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;2-cyclopropyl-N-[4-[2-[(1S)-1-[[2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]phenyl]acetamide;(4R)-5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-(3-quinolin-3-yl-2-pyridinyl)ethyl]acetamide.
What is the SMILES notation for 4-[4-(3-acetyl-4-fluorophenyl)pyridazin-3-yl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;2-cyclopropyl-N-[4-[2-[(1S)-1-[[2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]phenyl]acetamide;(4R)-5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-(3-quinolin-3-yl-2-pyridinyl)ethyl]acetamide?
The canonical SMILES for 4-[4-(3-acetyl-4-fluorophenyl)pyridazin-3-yl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;2-cyclopropyl-N-[4-[2-[(1S)-1-[[2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]phenyl]acetamide;(4R)-5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-(3-quinolin-3-yl-2-pyridinyl)ethyl]acetamide is CC(=O)c1cc(-c2ccnnc2C(CC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)Cc2cc(F)cc(F)c2)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)(F)F)c3c2CCOC3)ccc1F.Cc1cc(F)cc(C[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)c2ncccc2-c2cnc3ccccc3c2)c1.Cc1ccc(-c2cccnc2[C@@H](CC(=O)Cc2c[nH]c3ccc(O)cc23)Cc2cc(F)cc(F)c2)cc1.O=C(CC1CC1)Nc1ccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)F)c3c2C(F)(F)C2CC32)cc1.
What is the InChIKey of 4-[4-(3-acetyl-4-fluorophenyl)pyridazin-3-yl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;2-cyclopropyl-N-[4-[2-[(1S)-1-[[2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]phenyl]acetamide;(4R)-5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-(3-quinolin-3-yl-2-pyridinyl)ethyl]acetamide?
The InChIKey is KEUFPSJPKNCZPL-HPSPRZEOSA-N. The full InChI is InChI=1S/C34H29F6N5O2.C33H26F2N4O.C31H26F6N4O2.C31H26F2N2O2.C30H25F6N5O3/c35-20-10-18(11-21(36)14-20)12-26(43-28(47)16-45-32-29(31(44-45)33(37)38)24-15-25(24)34(32,39)40)30-23(2-1-9-41-30)19-5-7-22(8-6-19)42-27(46)13-17-3-4-17;1-20-11-21(13-26(35)12-20)14-31(39-32(40)16-24-19-38-30-9-8-25(34)17-28(24)30)33-27(6-4-10-36-33)23-15-22-5-2-3-7-29(22)37-18-23;1-17(42)26-14-19(6-7-27(26)34)24-8-9-38-39-29(24)20(10-18-11-21(32)15-22(33)12-18)13-23(43)16-41-28-5-3-2-4-25(28)30(40-41)31(35,36)37;1-19-4-6-21(7-5-19)28-3-2-10-34-31(28)22(11-20-12-24(32)16-25(33)13-20)14-27(37)15-23-18-35-30-9-8-26(36)17-29(23)30;1-37-29(43)21-12-17(4-5-23(21)33)20-3-2-7-38-27(20)24(11-16-9-18(31)13-19(32)10-16)39-26(42)14-41-25-6-8-44-15-22(25)28(40-41)30(34,35)36/h1-2,5-11,14,17,24-26,33H,3-4,12-13,15-16H2,(H,42,46)(H,43,47);2-13,15,17-19,31,38H,14,16H2,1H3,(H,39,40);6-9,11-12,14-15,20H,2-5,10,13,16H2,1H3;2-10,12-13,16-18,22,35-36H,11,14-15H2,1H3;2-5,7,9-10,12-13,24H,6,8,11,14-15H2,1H3,(H,37,43)(H,39,42)/t24?,25?,26-;31-;;22-;24-/m00.10/s1.
What are the key properties of 4-[4-(3-acetyl-4-fluorophenyl)pyridazin-3-yl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;2-cyclopropyl-N-[4-[2-[(1S)-1-[[2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]phenyl]acetamide;(4R)-5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-(3-quinolin-3-yl-2-pyridinyl)ethyl]acetamide?
4-[4-(3-acetyl-4-fluorophenyl)pyridazin-3-yl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;2-cyclopropyl-N-[4-[2-[(1S)-1-[[2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]phenyl]acetamide;(4R)-5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-(3-quinolin-3-yl-2-pyridinyl)ethyl]acetamide has a molecular weight of 2900.89 g/mol, XLogP of 33.02, 43 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-acetyl-4-fluorophenyl)pyridazin-3-yl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;2-cyclopropyl-N-[4-[2-[(1S)-1-[[2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]phenyl]acetamide;(4R)-5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-(3-quinolin-3-yl-2-pyridinyl)ethyl]acetamide is sourced from PubChem (CID 159113502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).