About N-[(2S)-1-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-3-methoxybut-3-en-2-yl]-2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-2-[(2-fluoro-6-methylbenzoyl)amino]propanoate
N-[(2S)-1-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-3-methoxybut-3-en-2-yl]-2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-2-[(2-fluoro-6-methylbenzoyl)amino]propanoate (PubChem CID 158345429) has the molecular formula C90H80F20N14O13
and a molecular weight of 1945.67 g/mol. Its IUPAC name is N-[(2S)-1-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-3-methoxybut-3-en-2-yl]-2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-2-[(2-fluoro-6-methylbenzoyl)amino]propanoate.
Frequently Asked Questions
What is the IUPAC name of N-[(2S)-1-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-3-methoxybut-3-en-2-yl]-2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-2-[(2-fluoro-6-methylbenzoyl)amino]propanoate?
The IUPAC name of N-[(2S)-1-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-3-methoxybut-3-en-2-yl]-2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-2-[(2-fluoro-6-methylbenzoyl)amino]propanoate (CID 158345429) is N-[(2S)-1-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-3-methoxybut-3-en-2-yl]-2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-2-[(2-fluoro-6-methylbenzoyl)amino]propanoate.
What is the SMILES notation for N-[(2S)-1-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-3-methoxybut-3-en-2-yl]-2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-2-[(2-fluoro-6-methylbenzoyl)amino]propanoate?
The canonical SMILES for N-[(2S)-1-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-3-methoxybut-3-en-2-yl]-2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-2-[(2-fluoro-6-methylbenzoyl)amino]propanoate is C=C(OC)[C@H](Cc1ccc(-c2c(C)c(C(F)(F)F)cn(C)c2=O)c2nccn12)NC(=O)c1c(F)cc(N2CCOC[C@@H]2C(F)(F)F)cc1F.COC(=O)[C@H](Cc1ccc(-c2c(C)c(C(F)(F)F)cn(C)c2=O)c2nccn12)NC(=O)c1c(C)cccc1F.COC(=O)[C@H](Cc1ccc(-c2c(C)c(C(F)(F)F)cn(C)c2=O)c2nccn12)NC(=O)c1c(F)cc(N2CCOC[C@@H]2C(F)(F)F)cc1F.
What is the InChIKey of N-[(2S)-1-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-3-methoxybut-3-en-2-yl]-2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-2-[(2-fluoro-6-methylbenzoyl)amino]propanoate?
The InChIKey is GRRFGQLZYSLBDG-QAYXPRHTSA-N. The full InChI is InChI=1S/C32H29F8N5O4.C31H27F8N5O5.C27H24F4N4O4/c1-16-21(31(35,36)37)14-43(3)30(47)26(16)20-6-5-18(45-8-7-41-28(20)45)13-24(17(2)48-4)42-29(46)27-22(33)11-19(12-23(27)34)44-9-10-49-15-25(44)32(38,39)40;1-15-19(30(34,35)36)13-42(2)28(46)24(15)18-5-4-16(44-7-6-40-26(18)44)12-22(29(47)48-3)41-27(45)25-20(32)10-17(11-21(25)33)43-8-9-49-14-23(43)31(37,38)39;1-14-6-5-7-19(28)21(14)24(36)33-20(26(38)39-4)12-16-8-9-17(23-32-10-11-35(16)23)22-15(2)18(27(29,30)31)13-34(3)25(22)37/h5-8,11-12,14,24-25H,2,9-10,13,15H2,1,3-4H3,(H,42,46);4-7,10-11,13,22-23H,8-9,12,14H2,1-3H3,(H,41,45);5-11,13,20H,12H2,1-4H3,(H,33,36)/t24-,25+;22-,23+;20-/m000/s1.
What are the key properties of N-[(2S)-1-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-3-methoxybut-3-en-2-yl]-2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-2-[(2-fluoro-6-methylbenzoyl)amino]propanoate?
N-[(2S)-1-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-3-methoxybut-3-en-2-yl]-2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-2-[(2-fluoro-6-methylbenzoyl)amino]propanoate has a molecular weight of 1945.67 g/mol, XLogP of 14.15, 21 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-3-methoxybut-3-en-2-yl]-2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-2-[(2-fluoro-6-methylbenzoyl)amino]propanoate is sourced from PubChem (CID 158345429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).