About (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-[3,5-bis(difluoromethyl)-4-ethenylpyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-[4-bromo-3,5-bis(difluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,4-difluoro-3-(trifluoromethyl)-5H-cyclopenta[d]pyrazol-6-one;3-[2-[(1S)-1-[[2-[5-(aminomethyl)-1H-indol-3-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(2R)-5-cyclopentyl-1-(3,5-difluorophenyl)-4-oxo-5-phenylpentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-[3,5-bis(difluoromethyl)-4-ethenylpyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-[4-bromo-3,5-bis(difluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,4-difluoro-3-(trifluoromethyl)-5H-cyclopenta[d]pyrazol-6-one;3-[2-[(1S)-1-[[2-[5-(aminomethyl)-1H-indol-3-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(2R)-5-cyclopentyl-1-(3,5-difluorophenyl)-4-oxo-5-phenylpentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide (PubChem CID 159192890) has the molecular formula C158H131BrF27N19O8
and a molecular weight of 3016.76 g/mol. Its IUPAC name is (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-[3,5-bis(difluoromethyl)-4-ethenylpyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-[4-bromo-3,5-bis(difluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,4-difluoro-3-(trifluoromethyl)-5H-cyclopenta[d]pyrazol-6-one;3-[2-[(1S)-1-[[2-[5-(aminomethyl)-1H-indol-3-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(2R)-5-cyclopentyl-1-(3,5-difluorophenyl)-4-oxo-5-phenylpentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide.
Frequently Asked Questions
What is the IUPAC name of (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-[3,5-bis(difluoromethyl)-4-ethenylpyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-[4-bromo-3,5-bis(difluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,4-difluoro-3-(trifluoromethyl)-5H-cyclopenta[d]pyrazol-6-one;3-[2-[(1S)-1-[[2-[5-(aminomethyl)-1H-indol-3-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(2R)-5-cyclopentyl-1-(3,5-difluorophenyl)-4-oxo-5-phenylpentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
The IUPAC name of (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-[3,5-bis(difluoromethyl)-4-ethenylpyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-[4-bromo-3,5-bis(difluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,4-difluoro-3-(trifluoromethyl)-5H-cyclopenta[d]pyrazol-6-one;3-[2-[(1S)-1-[[2-[5-(aminomethyl)-1H-indol-3-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(2R)-5-cyclopentyl-1-(3,5-difluorophenyl)-4-oxo-5-phenylpentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide (CID 159192890) is (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-[3,5-bis(difluoromethyl)-4-ethenylpyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-[4-bromo-3,5-bis(difluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,4-difluoro-3-(trifluoromethyl)-5H-cyclopenta[d]pyrazol-6-one;3-[2-[(1S)-1-[[2-[5-(aminomethyl)-1H-indol-3-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(2R)-5-cyclopentyl-1-(3,5-difluorophenyl)-4-oxo-5-phenylpentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide.
What is the SMILES notation for (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-[3,5-bis(difluoromethyl)-4-ethenylpyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-[4-bromo-3,5-bis(difluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,4-difluoro-3-(trifluoromethyl)-5H-cyclopenta[d]pyrazol-6-one;3-[2-[(1S)-1-[[2-[5-(aminomethyl)-1H-indol-3-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(2R)-5-cyclopentyl-1-(3,5-difluorophenyl)-4-oxo-5-phenylpentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
The canonical SMILES for (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-[3,5-bis(difluoromethyl)-4-ethenylpyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-[4-bromo-3,5-bis(difluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,4-difluoro-3-(trifluoromethyl)-5H-cyclopenta[d]pyrazol-6-one;3-[2-[(1S)-1-[[2-[5-(aminomethyl)-1H-indol-3-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(2R)-5-cyclopentyl-1-(3,5-difluorophenyl)-4-oxo-5-phenylpentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide is C=C(N)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2C(=O)CC3(F)F)Cc2cc(F)cc(F)c2)ccc1F.C=C(N)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)F)c(Br)c2C(F)F)Cc2cc(F)cc(F)c2)ccc1F.C=Cc1c(C(F)F)nn(CC(=O)C[C@@H](Cc2cc(F)cc(F)c2)c2ncccc2-c2ccc(F)c(C(=C)N)c2)c1C(F)F.CNC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)C(c2ccccc2)C2CCCC2)Cc2cc(F)cc(F)c2)ccc1F.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cc2c[nH]c3ccc(CN)cc23)c1.
What is the InChIKey of (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-[3,5-bis(difluoromethyl)-4-ethenylpyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-[4-bromo-3,5-bis(difluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,4-difluoro-3-(trifluoromethyl)-5H-cyclopenta[d]pyrazol-6-one;3-[2-[(1S)-1-[[2-[5-(aminomethyl)-1H-indol-3-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(2R)-5-cyclopentyl-1-(3,5-difluorophenyl)-4-oxo-5-phenylpentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
The InChIKey is KOHSTBROZWQZBR-KHKWRGMBSA-N. The full InChI is InChI=1S/C35H33F3N2O2.C32H29F2N5O2.C31H22F8N4O2.C31H25F7N4O.C29H22BrF7N4O/c1-39-35(42)30-19-25(13-14-31(30)38)29-12-7-15-40-34(29)26(16-22-17-27(36)21-28(37)18-22)20-32(41)33(24-10-5-6-11-24)23-8-3-2-4-9-23;1-36-32(41)22-5-2-4-21(14-22)26-6-3-9-37-31(26)29(13-20-10-24(33)16-25(34)11-20)39-30(40)15-23-18-38-28-8-7-19(17-35)12-27(23)28;1-15(40)23-11-17(4-5-24(23)34)22-3-2-6-41-27(22)18(7-16-8-19(32)12-20(33)9-16)10-21(44)14-43-28-25(45)13-30(35,36)26(28)29(42-43)31(37,38)39;1-3-23-28(30(35)36)41-42(29(23)31(37)38)15-22(43)12-19(9-17-10-20(32)14-21(33)11-17)27-24(5-4-8-40-27)18-6-7-26(34)25(13-18)16(2)39;1-14(38)22-11-16(4-5-23(22)33)21-3-2-6-39-25(21)17(7-15-8-18(31)12-19(32)9-15)10-20(42)13-41-27(29(36)37)24(30)26(40-41)28(34)35/h2-4,7-9,12-15,17-19,21,24,26,33H,5-6,10-11,16,20H2,1H3,(H,39,42);2-12,14,16,18,29,38H,13,15,17,35H2,1H3,(H,36,41)(H,39,40);2-6,8-9,11-12,18H,1,7,10,13-14,40H2;3-8,10-11,13-14,19,30-31H,1-2,9,12,15,39H2;2-6,8-9,11-12,17,28-29H,1,7,10,13,38H2/t26-,33?;29-;18-;19-;17-/m10111/s1.
What are the key properties of (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-[3,5-bis(difluoromethyl)-4-ethenylpyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-[4-bromo-3,5-bis(difluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,4-difluoro-3-(trifluoromethyl)-5H-cyclopenta[d]pyrazol-6-one;3-[2-[(1S)-1-[[2-[5-(aminomethyl)-1H-indol-3-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(2R)-5-cyclopentyl-1-(3,5-difluorophenyl)-4-oxo-5-phenylpentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-[3,5-bis(difluoromethyl)-4-ethenylpyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-[4-bromo-3,5-bis(difluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,4-difluoro-3-(trifluoromethyl)-5H-cyclopenta[d]pyrazol-6-one;3-[2-[(1S)-1-[[2-[5-(aminomethyl)-1H-indol-3-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(2R)-5-cyclopentyl-1-(3,5-difluorophenyl)-4-oxo-5-phenylpentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide has a molecular weight of 3016.76 g/mol, XLogP of 35.44, 51 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-[3,5-bis(difluoromethyl)-4-ethenylpyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-[4-bromo-3,5-bis(difluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,4-difluoro-3-(trifluoromethyl)-5H-cyclopenta[d]pyrazol-6-one;3-[2-[(1S)-1-[[2-[5-(aminomethyl)-1H-indol-3-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(2R)-5-cyclopentyl-1-(3,5-difluorophenyl)-4-oxo-5-phenylpentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 159192890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).