About 2-[3-[2-[2-(dimethylamino)ethoxy]-4-methylsulfonylanilino]prop-1-ynyl]-N-(1,1-dioxothian-4-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine;2-[4-[[2-[3-[2-[2-(dimethylamino)ethoxy]-4-methylsulfonylanilino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]ethanol;3-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-4-[3-[4-(oxan-4-ylamino)-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]benzenesulfonamide;2-[2-[2-[4-[[2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]ethoxy]ethoxy]ethanol;3-[4-[[2-[3-[(4-methoxy-6-methylsulfonyl-3-pyridinyl)amino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propane-1,2-diol
2-[3-[2-[2-(dimethylamino)ethoxy]-4-methylsulfonylanilino]prop-1-ynyl]-N-(1,1-dioxothian-4-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine;2-[4-[[2-[3-[2-[2-(dimethylamino)ethoxy]-4-methylsulfonylanilino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]ethanol;3-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-4-[3-[4-(oxan-4-ylamino)-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]benzenesulfonamide;2-[2-[2-[4-[[2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]ethoxy]ethoxy]ethanol;3-[4-[[2-[3-[(4-methoxy-6-methylsulfonyl-3-pyridinyl)amino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propane-1,2-diol (PubChem CID 159127772) has the molecular formula C149H180F15N23O25S6
and a molecular weight of 3170.59 g/mol. Its IUPAC name is 2-[3-[2-[2-(dimethylamino)ethoxy]-4-methylsulfonylanilino]prop-1-ynyl]-N-(1,1-dioxothian-4-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine;2-[4-[[2-[3-[2-[2-(dimethylamino)ethoxy]-4-methylsulfonylanilino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]ethanol;3-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-4-[3-[4-(oxan-4-ylamino)-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]benzenesulfonamide;2-[2-[2-[4-[[2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]ethoxy]ethoxy]ethanol;3-[4-[[2-[3-[(4-methoxy-6-methylsulfonyl-3-pyridinyl)amino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propane-1,2-diol.
Frequently Asked Questions
What is the IUPAC name of 2-[3-[2-[2-(dimethylamino)ethoxy]-4-methylsulfonylanilino]prop-1-ynyl]-N-(1,1-dioxothian-4-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine;2-[4-[[2-[3-[2-[2-(dimethylamino)ethoxy]-4-methylsulfonylanilino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]ethanol;3-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-4-[3-[4-(oxan-4-ylamino)-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]benzenesulfonamide;2-[2-[2-[4-[[2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]ethoxy]ethoxy]ethanol;3-[4-[[2-[3-[(4-methoxy-6-methylsulfonyl-3-pyridinyl)amino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propane-1,2-diol?
The IUPAC name of 2-[3-[2-[2-(dimethylamino)ethoxy]-4-methylsulfonylanilino]prop-1-ynyl]-N-(1,1-dioxothian-4-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine;2-[4-[[2-[3-[2-[2-(dimethylamino)ethoxy]-4-methylsulfonylanilino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]ethanol;3-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-4-[3-[4-(oxan-4-ylamino)-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]benzenesulfonamide;2-[2-[2-[4-[[2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]ethoxy]ethoxy]ethanol;3-[4-[[2-[3-[(4-methoxy-6-methylsulfonyl-3-pyridinyl)amino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propane-1,2-diol (CID 159127772) is 2-[3-[2-[2-(dimethylamino)ethoxy]-4-methylsulfonylanilino]prop-1-ynyl]-N-(1,1-dioxothian-4-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine;2-[4-[[2-[3-[2-[2-(dimethylamino)ethoxy]-4-methylsulfonylanilino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]ethanol;3-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-4-[3-[4-(oxan-4-ylamino)-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]benzenesulfonamide;2-[2-[2-[4-[[2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]ethoxy]ethoxy]ethanol;3-[4-[[2-[3-[(4-methoxy-6-methylsulfonyl-3-pyridinyl)amino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propane-1,2-diol.
What is the SMILES notation for 2-[3-[2-[2-(dimethylamino)ethoxy]-4-methylsulfonylanilino]prop-1-ynyl]-N-(1,1-dioxothian-4-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine;2-[4-[[2-[3-[2-[2-(dimethylamino)ethoxy]-4-methylsulfonylanilino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]ethanol;3-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-4-[3-[4-(oxan-4-ylamino)-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]benzenesulfonamide;2-[2-[2-[4-[[2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]ethoxy]ethoxy]ethanol;3-[4-[[2-[3-[(4-methoxy-6-methylsulfonyl-3-pyridinyl)amino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propane-1,2-diol?
The canonical SMILES for 2-[3-[2-[2-(dimethylamino)ethoxy]-4-methylsulfonylanilino]prop-1-ynyl]-N-(1,1-dioxothian-4-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine;2-[4-[[2-[3-[2-[2-(dimethylamino)ethoxy]-4-methylsulfonylanilino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]ethanol;3-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-4-[3-[4-(oxan-4-ylamino)-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]benzenesulfonamide;2-[2-[2-[4-[[2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]ethoxy]ethoxy]ethanol;3-[4-[[2-[3-[(4-methoxy-6-methylsulfonyl-3-pyridinyl)amino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propane-1,2-diol is CN(C)CCOc1cc(S(C)(=O)=O)ccc1NCC#Cc1cc2c(NC3CCN(CCO)CC3)cccc2n1CC(F)(F)F.CN(C)CCOc1cc(S(C)(=O)=O)ccc1NCC#Cc1cc2c(NC3CCS(=O)(=O)CC3)cccc2n1CC(F)(F)F.COc1cc(S(=O)(=O)Nc2cc(C)on2)ccc1NCC#Cc1cc2c(NC3CCOCC3)cccc2n1CC(F)(F)F.COc1cc(S(C)(=O)=O)ccc1NCC#Cc1cc2c(NC3CCN(CCOCCOCCO)CC3)cccc2n1CC(F)(F)F.COc1cc(S(C)(=O)=O)ncc1NCC#Cc1cc2c(NC3CCN(CC(O)CO)CC3)cccc2n1CC(F)(F)F.
What is the InChIKey of 2-[3-[2-[2-(dimethylamino)ethoxy]-4-methylsulfonylanilino]prop-1-ynyl]-N-(1,1-dioxothian-4-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine;2-[4-[[2-[3-[2-[2-(dimethylamino)ethoxy]-4-methylsulfonylanilino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]ethanol;3-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-4-[3-[4-(oxan-4-ylamino)-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]benzenesulfonamide;2-[2-[2-[4-[[2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]ethoxy]ethoxy]ethanol;3-[4-[[2-[3-[(4-methoxy-6-methylsulfonyl-3-pyridinyl)amino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propane-1,2-diol?
The InChIKey is KGMPUQOJURIACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41F3N4O6S.C31H40F3N5O4S.C29H30F3N5O5S.C29H35F3N4O5S2.C28H34F3N5O5S/c1-43-31-22-26(46(2,41)42)8-9-29(31)36-12-4-5-25-21-27-28(6-3-7-30(27)39(25)23-32(33,34)35)37-24-10-13-38(14-11-24)15-17-44-19-20-45-18-16-40;1-37(2)17-19-43-30-21-25(44(3,41)42)9-10-28(30)35-13-5-6-24-20-26-27(36-23-11-14-38(15-12-23)16-18-40)7-4-8-29(26)39(24)22-31(32,33)34;1-19-15-28(35-42-19)36-43(38,39)22-8-9-25(27(17-22)40-2)33-12-4-5-21-16-23-24(34-20-10-13-41-14-11-20)6-3-7-26(23)37(21)18-29(30,31)32;1-35(2)14-15-41-28-19-23(42(3,37)38)9-10-26(28)33-13-5-6-22-18-24-25(34-21-11-16-43(39,40)17-12-21)7-4-8-27(24)36(22)20-29(30,31)32;1-41-26-14-27(42(2,39)40)33-15-24(26)32-10-4-5-20-13-22-23(6-3-7-25(22)36(20)18-28(29,30)31)34-19-8-11-35(12-9-19)16-21(38)17-37/h3,6-9,21-22,24,36-37,40H,10-20,23H2,1-2H3;4,7-10,20-21,23,35-36,40H,11-19,22H2,1-3H3;3,6-9,15-17,20,33-34H,10-14,18H2,1-2H3,(H,35,36);4,7-10,18-19,21,33-34H,11-17,20H2,1-3H3;3,6-7,13-15,19,21,32,34,37-38H,8-12,16-18H2,1-2H3.
What are the key properties of 2-[3-[2-[2-(dimethylamino)ethoxy]-4-methylsulfonylanilino]prop-1-ynyl]-N-(1,1-dioxothian-4-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine;2-[4-[[2-[3-[2-[2-(dimethylamino)ethoxy]-4-methylsulfonylanilino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]ethanol;3-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-4-[3-[4-(oxan-4-ylamino)-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]benzenesulfonamide;2-[2-[2-[4-[[2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]ethoxy]ethoxy]ethanol;3-[4-[[2-[3-[(4-methoxy-6-methylsulfonyl-3-pyridinyl)amino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propane-1,2-diol?
2-[3-[2-[2-(dimethylamino)ethoxy]-4-methylsulfonylanilino]prop-1-ynyl]-N-(1,1-dioxothian-4-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine;2-[4-[[2-[3-[2-[2-(dimethylamino)ethoxy]-4-methylsulfonylanilino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]ethanol;3-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-4-[3-[4-(oxan-4-ylamino)-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]benzenesulfonamide;2-[2-[2-[4-[[2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]ethoxy]ethoxy]ethanol;3-[4-[[2-[3-[(4-methoxy-6-methylsulfonyl-3-pyridinyl)amino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propane-1,2-diol has a molecular weight of 3170.59 g/mol, XLogP of 19.93, 56 rotatable bonds, 15 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[2-(dimethylamino)ethoxy]-4-methylsulfonylanilino]prop-1-ynyl]-N-(1,1-dioxothian-4-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine;2-[4-[[2-[3-[2-[2-(dimethylamino)ethoxy]-4-methylsulfonylanilino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]ethanol;3-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-4-[3-[4-(oxan-4-ylamino)-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]benzenesulfonamide;2-[2-[2-[4-[[2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]ethoxy]ethoxy]ethanol;3-[4-[[2-[3-[(4-methoxy-6-methylsulfonyl-3-pyridinyl)amino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propane-1,2-diol is sourced from PubChem (CID 159127772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).