About 2,6-difluoro-N-[(2S)-3-oxo-1-[8-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)imidazo[1,2-a]pyridin-5-yl]butan-2-yl]-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzamide;2,6-difluoro-N-[(2S)-3-oxo-1-[8-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)imidazo[1,2-a]pyridin-5-yl]butan-2-yl]-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;2,6-difluoro-N-[(2S)-3-oxo-1-[8-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)imidazo[1,2-a]pyridin-5-yl]butan-2-yl]-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]benzamide
2,6-difluoro-N-[(2S)-3-oxo-1-[8-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)imidazo[1,2-a]pyridin-5-yl]butan-2-yl]-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzamide;2,6-difluoro-N-[(2S)-3-oxo-1-[8-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)imidazo[1,2-a]pyridin-5-yl]butan-2-yl]-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;2,6-difluoro-N-[(2S)-3-oxo-1-[8-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)imidazo[1,2-a]pyridin-5-yl]butan-2-yl]-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]benzamide (PubChem CID 162256044) has the molecular formula C87H85F15N18O13
and a molecular weight of 1875.72 g/mol. Its IUPAC name is 2,6-difluoro-N-[(2S)-3-oxo-1-[8-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)imidazo[1,2-a]pyridin-5-yl]butan-2-yl]-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzamide;2,6-difluoro-N-[(2S)-3-oxo-1-[8-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)imidazo[1,2-a]pyridin-5-yl]butan-2-yl]-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;2,6-difluoro-N-[(2S)-3-oxo-1-[8-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)imidazo[1,2-a]pyridin-5-yl]butan-2-yl]-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]benzamide.
Frequently Asked Questions
What is the IUPAC name of 2,6-difluoro-N-[(2S)-3-oxo-1-[8-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)imidazo[1,2-a]pyridin-5-yl]butan-2-yl]-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzamide;2,6-difluoro-N-[(2S)-3-oxo-1-[8-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)imidazo[1,2-a]pyridin-5-yl]butan-2-yl]-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;2,6-difluoro-N-[(2S)-3-oxo-1-[8-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)imidazo[1,2-a]pyridin-5-yl]butan-2-yl]-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]benzamide?
The IUPAC name of 2,6-difluoro-N-[(2S)-3-oxo-1-[8-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)imidazo[1,2-a]pyridin-5-yl]butan-2-yl]-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzamide;2,6-difluoro-N-[(2S)-3-oxo-1-[8-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)imidazo[1,2-a]pyridin-5-yl]butan-2-yl]-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;2,6-difluoro-N-[(2S)-3-oxo-1-[8-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)imidazo[1,2-a]pyridin-5-yl]butan-2-yl]-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]benzamide (CID 162256044) is 2,6-difluoro-N-[(2S)-3-oxo-1-[8-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)imidazo[1,2-a]pyridin-5-yl]butan-2-yl]-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzamide;2,6-difluoro-N-[(2S)-3-oxo-1-[8-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)imidazo[1,2-a]pyridin-5-yl]butan-2-yl]-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;2,6-difluoro-N-[(2S)-3-oxo-1-[8-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)imidazo[1,2-a]pyridin-5-yl]butan-2-yl]-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[(2S)-3-oxo-1-[8-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)imidazo[1,2-a]pyridin-5-yl]butan-2-yl]-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzamide;2,6-difluoro-N-[(2S)-3-oxo-1-[8-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)imidazo[1,2-a]pyridin-5-yl]butan-2-yl]-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;2,6-difluoro-N-[(2S)-3-oxo-1-[8-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)imidazo[1,2-a]pyridin-5-yl]butan-2-yl]-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]benzamide?
The canonical SMILES for 2,6-difluoro-N-[(2S)-3-oxo-1-[8-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)imidazo[1,2-a]pyridin-5-yl]butan-2-yl]-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzamide;2,6-difluoro-N-[(2S)-3-oxo-1-[8-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)imidazo[1,2-a]pyridin-5-yl]butan-2-yl]-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;2,6-difluoro-N-[(2S)-3-oxo-1-[8-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)imidazo[1,2-a]pyridin-5-yl]butan-2-yl]-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]benzamide is CC(=O)[C@H](Cc1ccc(-c2c(C)n(C)c(=O)n(C)c2=O)c2nccn12)NC(=O)c1c(F)cc(N2CCOC[C@@H]2C(F)(F)F)cc1F.CC(=O)[C@H](Cc1ccc(-c2c(C)n(C)c(=O)n(C)c2=O)c2nccn12)NC(=O)c1c(F)cc(N[C@H](C)C(F)(F)F)cc1F.CC[C@@H](Nc1cc(F)c(C(=O)N[C@@H](Cc2ccc(-c3c(C)n(C)c(=O)n(C)c3=O)c3nccn23)C(C)=O)c(F)c1)C(F)(F)F.
What is the InChIKey of 2,6-difluoro-N-[(2S)-3-oxo-1-[8-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)imidazo[1,2-a]pyridin-5-yl]butan-2-yl]-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzamide;2,6-difluoro-N-[(2S)-3-oxo-1-[8-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)imidazo[1,2-a]pyridin-5-yl]butan-2-yl]-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;2,6-difluoro-N-[(2S)-3-oxo-1-[8-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)imidazo[1,2-a]pyridin-5-yl]butan-2-yl]-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]benzamide?
The InChIKey is ZYPMRICTZAZGRB-JEGIAJOPSA-N. The full InChI is InChI=1S/C30H29F5N6O5.C29H29F5N6O4.C28H27F5N6O4/c1-15-24(28(44)39(4)29(45)38(15)3)19-6-5-17(41-8-7-36-26(19)41)13-22(16(2)42)37-27(43)25-20(31)11-18(12-21(25)32)40-9-10-46-14-23(40)30(33,34)35;1-6-22(29(32,33)34)36-16-11-19(30)24(20(31)12-16)26(42)37-21(15(3)41)13-17-7-8-18(25-35-9-10-40(17)25)23-14(2)38(4)28(44)39(5)27(23)43;1-13-22(26(42)38(5)27(43)37(13)4)18-7-6-17(39-9-8-34-24(18)39)12-21(14(2)40)36-25(41)23-19(29)10-16(11-20(23)30)35-15(3)28(31,32)33/h5-8,11-12,22-23H,9-10,13-14H2,1-4H3,(H,37,43);7-12,21-22,36H,6,13H2,1-5H3,(H,37,42);6-11,15,21,35H,12H2,1-5H3,(H,36,41)/t22-,23+;21-,22+;15-,21+/m001/s1.
What are the key properties of 2,6-difluoro-N-[(2S)-3-oxo-1-[8-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)imidazo[1,2-a]pyridin-5-yl]butan-2-yl]-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzamide;2,6-difluoro-N-[(2S)-3-oxo-1-[8-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)imidazo[1,2-a]pyridin-5-yl]butan-2-yl]-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;2,6-difluoro-N-[(2S)-3-oxo-1-[8-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)imidazo[1,2-a]pyridin-5-yl]butan-2-yl]-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]benzamide?
2,6-difluoro-N-[(2S)-3-oxo-1-[8-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)imidazo[1,2-a]pyridin-5-yl]butan-2-yl]-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzamide;2,6-difluoro-N-[(2S)-3-oxo-1-[8-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)imidazo[1,2-a]pyridin-5-yl]butan-2-yl]-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;2,6-difluoro-N-[(2S)-3-oxo-1-[8-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)imidazo[1,2-a]pyridin-5-yl]butan-2-yl]-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]benzamide has a molecular weight of 1875.72 g/mol, XLogP of 9.63, 24 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[(2S)-3-oxo-1-[8-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)imidazo[1,2-a]pyridin-5-yl]butan-2-yl]-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzamide;2,6-difluoro-N-[(2S)-3-oxo-1-[8-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)imidazo[1,2-a]pyridin-5-yl]butan-2-yl]-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;2,6-difluoro-N-[(2S)-3-oxo-1-[8-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)imidazo[1,2-a]pyridin-5-yl]butan-2-yl]-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]benzamide is sourced from PubChem (CID 162256044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).