About (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-hydroxy-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]pentan-2-one;tert-butyl 3-[3-[2-[[(1S)-1-[3-(3-carbamoylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]amino]-2-oxoethyl]-1H-indol-5-yl]propanoate;tert-butyl N-[[3-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]amino]-2-oxoethyl]-1H-indol-6-yl]methyl]carbamate;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[6-(trifluoromethyl)-1H-indol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide
(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-hydroxy-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]pentan-2-one;tert-butyl 3-[3-[2-[[(1S)-1-[3-(3-carbamoylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]amino]-2-oxoethyl]-1H-indol-5-yl]propanoate;tert-butyl N-[[3-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]amino]-2-oxoethyl]-1H-indol-6-yl]methyl]carbamate;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[6-(trifluoromethyl)-1H-indol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide (PubChem CID 159725395) has the molecular formula C166H147F23N20O12
and a molecular weight of 3051.08 g/mol. Its IUPAC name is (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-hydroxy-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]pentan-2-one;tert-butyl 3-[3-[2-[[(1S)-1-[3-(3-carbamoylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]amino]-2-oxoethyl]-1H-indol-5-yl]propanoate;tert-butyl N-[[3-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]amino]-2-oxoethyl]-1H-indol-6-yl]methyl]carbamate;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[6-(trifluoromethyl)-1H-indol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide.
Frequently Asked Questions
What is the IUPAC name of (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-hydroxy-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]pentan-2-one;tert-butyl 3-[3-[2-[[(1S)-1-[3-(3-carbamoylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]amino]-2-oxoethyl]-1H-indol-5-yl]propanoate;tert-butyl N-[[3-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]amino]-2-oxoethyl]-1H-indol-6-yl]methyl]carbamate;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[6-(trifluoromethyl)-1H-indol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide?
The IUPAC name of (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-hydroxy-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]pentan-2-one;tert-butyl 3-[3-[2-[[(1S)-1-[3-(3-carbamoylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]amino]-2-oxoethyl]-1H-indol-5-yl]propanoate;tert-butyl N-[[3-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]amino]-2-oxoethyl]-1H-indol-6-yl]methyl]carbamate;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[6-(trifluoromethyl)-1H-indol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide (CID 159725395) is (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-hydroxy-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]pentan-2-one;tert-butyl 3-[3-[2-[[(1S)-1-[3-(3-carbamoylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]amino]-2-oxoethyl]-1H-indol-5-yl]propanoate;tert-butyl N-[[3-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]amino]-2-oxoethyl]-1H-indol-6-yl]methyl]carbamate;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[6-(trifluoromethyl)-1H-indol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide.
What is the SMILES notation for (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-hydroxy-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]pentan-2-one;tert-butyl 3-[3-[2-[[(1S)-1-[3-(3-carbamoylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]amino]-2-oxoethyl]-1H-indol-5-yl]propanoate;tert-butyl N-[[3-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]amino]-2-oxoethyl]-1H-indol-6-yl]methyl]carbamate;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[6-(trifluoromethyl)-1H-indol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide?
The canonical SMILES for (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-hydroxy-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]pentan-2-one;tert-butyl 3-[3-[2-[[(1S)-1-[3-(3-carbamoylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]amino]-2-oxoethyl]-1H-indol-5-yl]propanoate;tert-butyl N-[[3-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]amino]-2-oxoethyl]-1H-indol-6-yl]methyl]carbamate;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[6-(trifluoromethyl)-1H-indol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide is C=C(N)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CCC3O)Cc2cc(F)cc(F)c2)ccc1F.CC(C)(C)OC(=O)CCc1ccc2[nH]cc(CC(=O)N[C@@H](Cc3cc(F)cc(F)c3)c3ncccc3-c3cccc(C(N)=O)c3)c2c1.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cc2c[nH]c3cc(C(F)(F)F)ccc23)c1.Cc1ccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cc2c[nH]c3cc(CNC(=O)OC(C)(C)C)ccc23)cc1.Cc1ccc(-c2cncnc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3(F)F)Cc2cc(F)cc(F)c2)cc1.
What is the InChIKey of (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-hydroxy-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]pentan-2-one;tert-butyl 3-[3-[2-[[(1S)-1-[3-(3-carbamoylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]amino]-2-oxoethyl]-1H-indol-5-yl]propanoate;tert-butyl N-[[3-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]amino]-2-oxoethyl]-1H-indol-6-yl]methyl]carbamate;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[6-(trifluoromethyl)-1H-indol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide?
The InChIKey is NAOJDYHHOGQCEK-XBQUUVLFSA-N. The full InChI is InChI=1S/C37H36F2N4O4.C36H36F2N4O3.C32H25F5N4O2.C31H26F6N4O2.C30H24F8N4O/c1-37(2,3)47-34(45)12-10-22-9-11-31-30(16-22)26(21-42-31)19-33(44)43-32(17-23-14-27(38)20-28(39)15-23)35-29(8-5-13-41-35)24-6-4-7-25(18-24)36(40)46;1-22-7-10-25(11-8-22)30-6-5-13-39-34(30)32(17-24-14-27(37)19-28(38)15-24)42-33(43)18-26-21-40-31-16-23(9-12-29(26)31)20-41-35(44)45-36(2,3)4;1-38-31(43)20-5-2-4-19(13-20)26-6-3-9-39-30(26)28(12-18-10-23(33)16-24(34)11-18)41-29(42)14-21-17-40-27-15-22(32(35,36)37)7-8-25(21)27;1-16(38)24-13-18(4-5-25(24)34)23-3-2-8-39-29(23)19(9-17-10-20(32)14-21(33)11-17)12-22(42)15-41-26-6-7-27(43)28(26)30(40-41)31(35,36)37;1-16-2-4-18(5-3-16)23-13-39-15-40-25(23)19(8-17-9-20(31)12-21(32)10-17)11-22(43)14-42-27-24(26(41-42)28(33)34)29(35,36)6-7-30(27,37)38/h4-9,11,13-16,18,20-21,32,42H,10,12,17,19H2,1-3H3,(H2,40,46)(H,43,44);5-16,19,21,32,40H,17-18,20H2,1-4H3,(H,41,44)(H,42,43);2-11,13,15-17,28,40H,12,14H2,1H3,(H,38,43)(H,41,42);2-5,8,10-11,13-14,19,27,43H,1,6-7,9,12,15,38H2;2-5,9-10,12-13,15,19,28H,6-8,11,14H2,1H3/t2*32-;28-;19-,27?;19-/m00011/s1.
What are the key properties of (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-hydroxy-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]pentan-2-one;tert-butyl 3-[3-[2-[[(1S)-1-[3-(3-carbamoylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]amino]-2-oxoethyl]-1H-indol-5-yl]propanoate;tert-butyl N-[[3-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]amino]-2-oxoethyl]-1H-indol-6-yl]methyl]carbamate;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[6-(trifluoromethyl)-1H-indol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide?
(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-hydroxy-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]pentan-2-one;tert-butyl 3-[3-[2-[[(1S)-1-[3-(3-carbamoylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]amino]-2-oxoethyl]-1H-indol-5-yl]propanoate;tert-butyl N-[[3-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]amino]-2-oxoethyl]-1H-indol-6-yl]methyl]carbamate;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[6-(trifluoromethyl)-1H-indol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide has a molecular weight of 3051.08 g/mol, XLogP of 34.64, 46 rotatable bonds, 11 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]-5-(3,5-difluorophenyl)-1-[4-hydroxy-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]pentan-2-one;tert-butyl 3-[3-[2-[[(1S)-1-[3-(3-carbamoylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]amino]-2-oxoethyl]-1H-indol-5-yl]propanoate;tert-butyl N-[[3-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]amino]-2-oxoethyl]-1H-indol-6-yl]methyl]carbamate;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[6-(trifluoromethyl)-1H-indol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide is sourced from PubChem (CID 159725395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).