About 4-[(3S)-3-(2,2-difluoroethyl)morpholin-4-yl]-2-fluoro-6-methyl-N-[(2S)-1-[4-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)phenyl]-3-oxopentan-2-yl]benzamide;methyl (2S)-2-[[2-chloro-6-fluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[6-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)-3-pyridinyl]propanoate;methyl (2S)-2-[[4-[(3S)-3-(2,2-difluoroethyl)morpholin-4-yl]-2-fluoro-6-methylbenzoyl]amino]-3-[4-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)phenyl]propanoate;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[4-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)phenyl]propanoate
4-[(3S)-3-(2,2-difluoroethyl)morpholin-4-yl]-2-fluoro-6-methyl-N-[(2S)-1-[4-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)phenyl]-3-oxopentan-2-yl]benzamide;methyl (2S)-2-[[2-chloro-6-fluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[6-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)-3-pyridinyl]propanoate;methyl (2S)-2-[[4-[(3S)-3-(2,2-difluoroethyl)morpholin-4-yl]-2-fluoro-6-methylbenzoyl]amino]-3-[4-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)phenyl]propanoate;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[4-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)phenyl]propanoate (PubChem CID 159104436) has the molecular formula C125H129ClF14N18O26
and a molecular weight of 2600.93 g/mol. Its IUPAC name is 4-[(3S)-3-(2,2-difluoroethyl)morpholin-4-yl]-2-fluoro-6-methyl-N-[(2S)-1-[4-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)phenyl]-3-oxopentan-2-yl]benzamide;methyl (2S)-2-[[2-chloro-6-fluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[6-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)-3-pyridinyl]propanoate;methyl (2S)-2-[[4-[(3S)-3-(2,2-difluoroethyl)morpholin-4-yl]-2-fluoro-6-methylbenzoyl]amino]-3-[4-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)phenyl]propanoate;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[4-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)phenyl]propanoate.
Frequently Asked Questions
What is the IUPAC name of 4-[(3S)-3-(2,2-difluoroethyl)morpholin-4-yl]-2-fluoro-6-methyl-N-[(2S)-1-[4-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)phenyl]-3-oxopentan-2-yl]benzamide;methyl (2S)-2-[[2-chloro-6-fluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[6-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)-3-pyridinyl]propanoate;methyl (2S)-2-[[4-[(3S)-3-(2,2-difluoroethyl)morpholin-4-yl]-2-fluoro-6-methylbenzoyl]amino]-3-[4-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)phenyl]propanoate;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[4-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)phenyl]propanoate?
The IUPAC name of 4-[(3S)-3-(2,2-difluoroethyl)morpholin-4-yl]-2-fluoro-6-methyl-N-[(2S)-1-[4-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)phenyl]-3-oxopentan-2-yl]benzamide;methyl (2S)-2-[[2-chloro-6-fluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[6-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)-3-pyridinyl]propanoate;methyl (2S)-2-[[4-[(3S)-3-(2,2-difluoroethyl)morpholin-4-yl]-2-fluoro-6-methylbenzoyl]amino]-3-[4-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)phenyl]propanoate;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[4-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)phenyl]propanoate (CID 159104436) is 4-[(3S)-3-(2,2-difluoroethyl)morpholin-4-yl]-2-fluoro-6-methyl-N-[(2S)-1-[4-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)phenyl]-3-oxopentan-2-yl]benzamide;methyl (2S)-2-[[2-chloro-6-fluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[6-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)-3-pyridinyl]propanoate;methyl (2S)-2-[[4-[(3S)-3-(2,2-difluoroethyl)morpholin-4-yl]-2-fluoro-6-methylbenzoyl]amino]-3-[4-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)phenyl]propanoate;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[4-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)phenyl]propanoate.
What is the SMILES notation for 4-[(3S)-3-(2,2-difluoroethyl)morpholin-4-yl]-2-fluoro-6-methyl-N-[(2S)-1-[4-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)phenyl]-3-oxopentan-2-yl]benzamide;methyl (2S)-2-[[2-chloro-6-fluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[6-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)-3-pyridinyl]propanoate;methyl (2S)-2-[[4-[(3S)-3-(2,2-difluoroethyl)morpholin-4-yl]-2-fluoro-6-methylbenzoyl]amino]-3-[4-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)phenyl]propanoate;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[4-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)phenyl]propanoate?
The canonical SMILES for 4-[(3S)-3-(2,2-difluoroethyl)morpholin-4-yl]-2-fluoro-6-methyl-N-[(2S)-1-[4-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)phenyl]-3-oxopentan-2-yl]benzamide;methyl (2S)-2-[[2-chloro-6-fluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[6-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)-3-pyridinyl]propanoate;methyl (2S)-2-[[4-[(3S)-3-(2,2-difluoroethyl)morpholin-4-yl]-2-fluoro-6-methylbenzoyl]amino]-3-[4-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)phenyl]propanoate;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[4-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)phenyl]propanoate is CCC(=O)[C@H](Cc1ccc(-n2c(=O)c3c(n(C)c2=O)CCOC3)cc1)NC(=O)c1c(C)cc(N2CCOC[C@@H]2CC(F)F)cc1F.COC(=O)[C@H](Cc1ccc(-n2c(=O)c3c(n(C)c2=O)CCOC3)cc1)NC(=O)c1c(C)cc(N2CCOC[C@@H]2C(F)(F)F)cc1F.COC(=O)[C@H](Cc1ccc(-n2c(=O)c3c(n(C)c2=O)CCOC3)cc1)NC(=O)c1c(C)cc(N2CCOC[C@@H]2CC(F)F)cc1F.COC(=O)[C@H](Cc1ccc(-n2c(=O)c3ccncc3n(C)c2=O)nc1)NC(=O)c1c(F)cc(N2CCOC[C@@H]2C(F)(F)F)cc1Cl.
What is the InChIKey of 4-[(3S)-3-(2,2-difluoroethyl)morpholin-4-yl]-2-fluoro-6-methyl-N-[(2S)-1-[4-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)phenyl]-3-oxopentan-2-yl]benzamide;methyl (2S)-2-[[2-chloro-6-fluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[6-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)-3-pyridinyl]propanoate;methyl (2S)-2-[[4-[(3S)-3-(2,2-difluoroethyl)morpholin-4-yl]-2-fluoro-6-methylbenzoyl]amino]-3-[4-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)phenyl]propanoate;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[4-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)phenyl]propanoate?
The InChIKey is KDRUKHFEGLRPKR-ZBZNBRHRSA-N. The full InChI is InChI=1S/C33H37F3N4O6.C32H35F3N4O7.C31H32F4N4O7.C29H25ClF4N6O6/c1-4-28(41)26(14-20-5-7-21(8-6-20)40-32(43)24-18-45-11-9-27(24)38(3)33(40)44)37-31(42)30-19(2)13-22(15-25(30)34)39-10-12-46-17-23(39)16-29(35)36;1-18-12-21(38-9-11-46-16-22(38)15-27(34)35)14-24(33)28(18)29(40)36-25(31(42)44-3)13-19-4-6-20(7-5-19)39-30(41)23-17-45-10-8-26(23)37(2)32(39)43;1-17-12-20(38-9-11-46-16-25(38)31(33,34)35)14-22(32)26(17)27(40)36-23(29(42)44-3)13-18-4-6-19(7-5-18)39-28(41)21-15-45-10-8-24(21)37(2)30(39)43;1-38-21-13-35-6-5-17(21)26(42)40(28(38)44)23-4-3-15(12-36-23)9-20(27(43)45-2)37-25(41)24-18(30)10-16(11-19(24)31)39-7-8-46-14-22(39)29(32,33)34/h5-8,13,15,23,26,29H,4,9-12,14,16-18H2,1-3H3,(H,37,42);4-7,12,14,22,25,27H,8-11,13,15-17H2,1-3H3,(H,36,40);4-7,12,14,23,25H,8-11,13,15-16H2,1-3H3,(H,36,40);3-6,10-13,20,22H,7-9,14H2,1-2H3,(H,37,41)/t23-,26-;22-,25-;23-,25+;20-,22+/m0000/s1.
What are the key properties of 4-[(3S)-3-(2,2-difluoroethyl)morpholin-4-yl]-2-fluoro-6-methyl-N-[(2S)-1-[4-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)phenyl]-3-oxopentan-2-yl]benzamide;methyl (2S)-2-[[2-chloro-6-fluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[6-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)-3-pyridinyl]propanoate;methyl (2S)-2-[[4-[(3S)-3-(2,2-difluoroethyl)morpholin-4-yl]-2-fluoro-6-methylbenzoyl]amino]-3-[4-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)phenyl]propanoate;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[4-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)phenyl]propanoate?
4-[(3S)-3-(2,2-difluoroethyl)morpholin-4-yl]-2-fluoro-6-methyl-N-[(2S)-1-[4-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)phenyl]-3-oxopentan-2-yl]benzamide;methyl (2S)-2-[[2-chloro-6-fluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[6-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)-3-pyridinyl]propanoate;methyl (2S)-2-[[4-[(3S)-3-(2,2-difluoroethyl)morpholin-4-yl]-2-fluoro-6-methylbenzoyl]amino]-3-[4-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)phenyl]propanoate;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[4-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)phenyl]propanoate has a molecular weight of 2600.93 g/mol, XLogP of 10.56, 33 rotatable bonds, 4 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-(2,2-difluoroethyl)morpholin-4-yl]-2-fluoro-6-methyl-N-[(2S)-1-[4-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)phenyl]-3-oxopentan-2-yl]benzamide;methyl (2S)-2-[[2-chloro-6-fluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[6-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)-3-pyridinyl]propanoate;methyl (2S)-2-[[4-[(3S)-3-(2,2-difluoroethyl)morpholin-4-yl]-2-fluoro-6-methylbenzoyl]amino]-3-[4-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)phenyl]propanoate;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[4-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)phenyl]propanoate is sourced from PubChem (CID 159104436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).