About N-[(2S,3S)-1-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(2S)-1,4-dimorpholin-4-yl-1,4-dioxobutan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(2S)-1,5-dimorpholin-4-yl-1,5-dioxopentan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(2R)-1,5-dimorpholin-4-yl-1,5-dioxopentan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(2S)-2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-N,N,N',N'-tetramethylbutanediamide
N-[(2S,3S)-1-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(2S)-1,4-dimorpholin-4-yl-1,4-dioxobutan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(2S)-1,5-dimorpholin-4-yl-1,5-dioxopentan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(2R)-1,5-dimorpholin-4-yl-1,5-dioxopentan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(2S)-2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-N,N,N',N'-tetramethylbutanediamide (PubChem CID 161011164) has the molecular formula C132H153F5N24O26
and a molecular weight of 2586.81 g/mol. Its IUPAC name is N-[(2S,3S)-1-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(2S)-1,4-dimorpholin-4-yl-1,4-dioxobutan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(2S)-1,5-dimorpholin-4-yl-1,5-dioxopentan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(2R)-1,5-dimorpholin-4-yl-1,5-dioxopentan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(2S)-2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-N,N,N',N'-tetramethylbutanediamide.
Frequently Asked Questions
What is the IUPAC name of N-[(2S,3S)-1-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(2S)-1,4-dimorpholin-4-yl-1,4-dioxobutan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(2S)-1,5-dimorpholin-4-yl-1,5-dioxopentan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(2R)-1,5-dimorpholin-4-yl-1,5-dioxopentan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(2S)-2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-N,N,N',N'-tetramethylbutanediamide?
The IUPAC name of N-[(2S,3S)-1-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(2S)-1,4-dimorpholin-4-yl-1,4-dioxobutan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(2S)-1,5-dimorpholin-4-yl-1,5-dioxopentan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(2R)-1,5-dimorpholin-4-yl-1,5-dioxopentan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(2S)-2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-N,N,N',N'-tetramethylbutanediamide (CID 161011164) is N-[(2S,3S)-1-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(2S)-1,4-dimorpholin-4-yl-1,4-dioxobutan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(2S)-1,5-dimorpholin-4-yl-1,5-dioxopentan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(2R)-1,5-dimorpholin-4-yl-1,5-dioxopentan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(2S)-2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-N,N,N',N'-tetramethylbutanediamide.
What is the SMILES notation for N-[(2S,3S)-1-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(2S)-1,4-dimorpholin-4-yl-1,4-dioxobutan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(2S)-1,5-dimorpholin-4-yl-1,5-dioxopentan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(2R)-1,5-dimorpholin-4-yl-1,5-dioxopentan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(2S)-2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-N,N,N',N'-tetramethylbutanediamide?
The canonical SMILES for N-[(2S,3S)-1-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(2S)-1,4-dimorpholin-4-yl-1,4-dioxobutan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(2S)-1,5-dimorpholin-4-yl-1,5-dioxopentan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(2R)-1,5-dimorpholin-4-yl-1,5-dioxopentan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(2S)-2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-N,N,N',N'-tetramethylbutanediamide is Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)N[C@@H](CC(=O)N(C)C)C(=O)N(C)C.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)N[C@@H](CC(=O)N1CCOCC1)C(=O)N1CCOCC1.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)N[C@@H](CCC(=O)N1CCOCC1)C(=O)N1CCOCC1.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)N[C@H](C(=O)N(C)C)[C@H](C)O.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)N[C@H](CCC(=O)N1CCOCC1)C(=O)N1CCOCC1.
What is the InChIKey of N-[(2S,3S)-1-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(2S)-1,4-dimorpholin-4-yl-1,4-dioxobutan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(2S)-1,5-dimorpholin-4-yl-1,5-dioxopentan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(2R)-1,5-dimorpholin-4-yl-1,5-dioxopentan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(2S)-2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-N,N,N',N'-tetramethylbutanediamide?
The InChIKey is TXDCCCIAHYJBHG-JSNXJRFXSA-N. The full InChI is InChI=1S/2C29H34FN5O6.C28H32FN5O6.C24H28FN5O4.C22H25FN4O4/c2*1-17-24(16-21-20-15-19(30)3-4-22(20)32-27(21)37)31-18(2)26(17)28(38)33-23(29(39)35-9-13-41-14-10-35)5-6-25(36)34-7-11-40-12-8-34;1-16-22(14-20-19-13-18(29)3-4-21(19)31-26(20)36)30-17(2)25(16)27(37)32-23(28(38)34-7-11-40-12-8-34)15-24(35)33-5-9-39-10-6-33;1-12-18(10-16-15-9-14(25)7-8-17(15)27-22(16)32)26-13(2)21(12)23(33)28-19(24(34)30(5)6)11-20(31)29(3)4;1-10-17(9-15-14-8-13(23)6-7-16(14)25-20(15)29)24-11(2)18(10)21(30)26-19(12(3)28)22(31)27(4)5/h2*3-4,15-16,23,31H,5-14H2,1-2H3,(H,32,37)(H,33,38);3-4,13-14,23,30H,5-12,15H2,1-2H3,(H,31,36)(H,32,37);7-10,19,26H,11H2,1-6H3,(H,27,32)(H,28,33);6-9,12,19,24,28H,1-5H3,(H,25,29)(H,26,30)/b2*21-16-;20-14-;16-10-;15-9-/t3*23-;19-;12-,19-/m10000/s1.
What are the key properties of N-[(2S,3S)-1-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(2S)-1,4-dimorpholin-4-yl-1,4-dioxobutan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(2S)-1,5-dimorpholin-4-yl-1,5-dioxopentan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(2R)-1,5-dimorpholin-4-yl-1,5-dioxopentan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(2S)-2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-N,N,N',N'-tetramethylbutanediamide?
N-[(2S,3S)-1-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(2S)-1,4-dimorpholin-4-yl-1,4-dioxobutan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(2S)-1,5-dimorpholin-4-yl-1,5-dioxopentan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(2R)-1,5-dimorpholin-4-yl-1,5-dioxopentan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(2S)-2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-N,N,N',N'-tetramethylbutanediamide has a molecular weight of 2586.81 g/mol, XLogP of 8.95, 31 rotatable bonds, 16 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-1-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(2S)-1,4-dimorpholin-4-yl-1,4-dioxobutan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(2S)-1,5-dimorpholin-4-yl-1,5-dioxopentan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(2R)-1,5-dimorpholin-4-yl-1,5-dioxopentan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(2S)-2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-N,N,N',N'-tetramethylbutanediamide is sourced from PubChem (CID 161011164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).