About (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(5S)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-[2-[(1S)-1-[[(2S)-2-[3,5-bis(difluoromethyl)pyrazol-1-yl]butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(5R)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(5S)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-[2-[(1S)-1-[[(2S)-2-[3,5-bis(difluoromethyl)pyrazol-1-yl]butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(5R)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide (PubChem CID 159347652) has the molecular formula C152H132F31N23O11
and a molecular weight of 3045.82 g/mol. Its IUPAC name is (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(5S)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-[2-[(1S)-1-[[(2S)-2-[3,5-bis(difluoromethyl)pyrazol-1-yl]butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(5R)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-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]-5-(3,5-difluorophenyl)-1-[(5S)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-[2-[(1S)-1-[[(2S)-2-[3,5-bis(difluoromethyl)pyrazol-1-yl]butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(5R)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
The IUPAC name of (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(5S)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-[2-[(1S)-1-[[(2S)-2-[3,5-bis(difluoromethyl)pyrazol-1-yl]butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(5R)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide (CID 159347652) is (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(5S)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-[2-[(1S)-1-[[(2S)-2-[3,5-bis(difluoromethyl)pyrazol-1-yl]butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(5R)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide.
What is the SMILES notation for (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(5S)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-[2-[(1S)-1-[[(2S)-2-[3,5-bis(difluoromethyl)pyrazol-1-yl]butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(5R)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
The canonical SMILES for (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(5S)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-[2-[(1S)-1-[[(2S)-2-[3,5-bis(difluoromethyl)pyrazol-1-yl]butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(5R)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide is C=C(N)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CC[C@H](O)C3)Cc2cc(F)cc(F)c2)ccc1F.CC(C)[C@H](C(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(N)=O)c1)n1ccc(C(F)(F)F)n1.CC[C@@H](C(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(=O)NC)c1)n1nc(C(F)F)cc1C(F)F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](C(C)C)n2ccc(C(F)(F)F)n2)ccc1F.NC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CC[C@@H](O)C3)Cc2cc(F)cc(F)c2)ccc1F.
What is the InChIKey of (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(5S)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-[2-[(1S)-1-[[(2S)-2-[3,5-bis(difluoromethyl)pyrazol-1-yl]butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(5R)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
The InChIKey is LGXVDRXOUKEVPQ-LXTLVDQNSA-N. The full InChI is InChI=1S/C32H28F6N4O2.C31H26F6N4O3.C30H26F7N5O2.C30H27F6N5O2.C29H25F6N5O2/c1-17(39)26-13-19(4-6-28(26)35)25-3-2-8-40-30(25)20(9-18-10-21(33)14-22(34)11-18)12-24(44)16-42-29-7-5-23(43)15-27(29)31(41-42)32(36,37)38;32-19-9-16(10-20(33)13-19)8-18(28-23(2-1-7-39-28)17-3-5-26(34)24(12-17)30(38)44)11-22(43)15-41-27-6-4-21(42)14-25(27)29(40-41)31(35,36)37;1-3-24(42-25(28(36)37)14-23(41-42)27(34)35)30(44)40-22(11-15-9-17(31)13-18(32)10-15)26-19(5-4-8-39-26)16-6-7-21(33)20(12-16)29(43)38-2;1-16(2)27(41-10-8-25(40-41)30(34,35)36)29(43)39-24(13-17-11-19(31)15-20(32)12-17)26-21(5-4-9-38-26)18-6-7-23(33)22(14-18)28(42)37-3;1-15(2)26(40-9-7-24(39-40)29(33,34)35)28(42)38-23(12-16-10-18(30)14-19(31)11-16)25-20(4-3-8-37-25)17-5-6-22(32)21(13-17)27(36)41/h2-4,6,8,10-11,13-14,20,23,43H,1,5,7,9,12,15-16,39H2;1-3,5,7,9-10,12-13,18,21,42H,4,6,8,11,14-15H2,(H2,38,44);4-10,12-14,22,24,27-28H,3,11H2,1-2H3,(H,38,43)(H,40,44);4-12,14-16,24,27H,13H2,1-3H3,(H,37,42)(H,39,43);3-11,13-15,23,26H,12H2,1-2H3,(H2,36,41)(H,38,42)/t20-,23+;18-,21-;22-,24-;24-,27-;23-,26+/m11000/s1.
What are the key properties of (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(5S)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-[2-[(1S)-1-[[(2S)-2-[3,5-bis(difluoromethyl)pyrazol-1-yl]butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(5R)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(5S)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-[2-[(1S)-1-[[(2S)-2-[3,5-bis(difluoromethyl)pyrazol-1-yl]butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(5R)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide has a molecular weight of 3045.82 g/mol, XLogP of 29.93, 47 rotatable bonds, 10 hydrogen bond donors, and 27 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-[(5S)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-[2-[(1S)-1-[[(2S)-2-[3,5-bis(difluoromethyl)pyrazol-1-yl]butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[(5R)-5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 159347652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).