About bis(5-[[4-[[2-amino-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1H-indole-2-carbonitrile);2-amino-5-(2,2,2-trifluoroethyl)thiophene-3-carboxamide;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;2,4-dichloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;methane;5-methoxy-4-methyl-1H-indole-2-carbonitrile;2-[2-(4-methoxyphenyl)ethyl]-N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;5-[[4-[[2-[2-(4-methoxyphenyl)ethyl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1H-indole-2-carbonitrile;(4-methoxyphenyl)methanamine;phosphoryl trichloride;2-(2,2,2-trifluoroethyl)-7H-thieno[3,2-c]pyridine-4,6-dione
bis(5-[[4-[[2-amino-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1H-indole-2-carbonitrile);2-amino-5-(2,2,2-trifluoroethyl)thiophene-3-carboxamide;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;2,4-dichloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;methane;5-methoxy-4-methyl-1H-indole-2-carbonitrile;2-[2-(4-methoxyphenyl)ethyl]-N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;5-[[4-[[2-[2-(4-methoxyphenyl)ethyl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1H-indole-2-carbonitrile;(4-methoxyphenyl)methanamine;phosphoryl trichloride;2-(2,2,2-trifluoroethyl)-7H-thieno[3,2-c]pyridine-4,6-dione (PubChem CID 160993229) has the molecular formula C175H189Cl6F24N38O12PS8
and a molecular weight of 3972.87 g/mol. Its IUPAC name is bis(5-[[4-[[2-amino-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1H-indole-2-carbonitrile);2-amino-5-(2,2,2-trifluoroethyl)thiophene-3-carboxamide;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;2,4-dichloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;methane;5-methoxy-4-methyl-1H-indole-2-carbonitrile;2-[2-(4-methoxyphenyl)ethyl]-N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;5-[[4-[[2-[2-(4-methoxyphenyl)ethyl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1H-indole-2-carbonitrile;(4-methoxyphenyl)methanamine;phosphoryl trichloride;2-(2,2,2-trifluoroethyl)-7H-thieno[3,2-c]pyridine-4,6-dione.
Frequently Asked Questions
What is the IUPAC name of bis(5-[[4-[[2-amino-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1H-indole-2-carbonitrile);2-amino-5-(2,2,2-trifluoroethyl)thiophene-3-carboxamide;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;2,4-dichloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;methane;5-methoxy-4-methyl-1H-indole-2-carbonitrile;2-[2-(4-methoxyphenyl)ethyl]-N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;5-[[4-[[2-[2-(4-methoxyphenyl)ethyl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1H-indole-2-carbonitrile;(4-methoxyphenyl)methanamine;phosphoryl trichloride;2-(2,2,2-trifluoroethyl)-7H-thieno[3,2-c]pyridine-4,6-dione?
The IUPAC name of bis(5-[[4-[[2-amino-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1H-indole-2-carbonitrile);2-amino-5-(2,2,2-trifluoroethyl)thiophene-3-carboxamide;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;2,4-dichloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;methane;5-methoxy-4-methyl-1H-indole-2-carbonitrile;2-[2-(4-methoxyphenyl)ethyl]-N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;5-[[4-[[2-[2-(4-methoxyphenyl)ethyl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1H-indole-2-carbonitrile;(4-methoxyphenyl)methanamine;phosphoryl trichloride;2-(2,2,2-trifluoroethyl)-7H-thieno[3,2-c]pyridine-4,6-dione (CID 160993229) is bis(5-[[4-[[2-amino-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1H-indole-2-carbonitrile);2-amino-5-(2,2,2-trifluoroethyl)thiophene-3-carboxamide;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;2,4-dichloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;methane;5-methoxy-4-methyl-1H-indole-2-carbonitrile;2-[2-(4-methoxyphenyl)ethyl]-N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;5-[[4-[[2-[2-(4-methoxyphenyl)ethyl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1H-indole-2-carbonitrile;(4-methoxyphenyl)methanamine;phosphoryl trichloride;2-(2,2,2-trifluoroethyl)-7H-thieno[3,2-c]pyridine-4,6-dione.
What is the SMILES notation for bis(5-[[4-[[2-amino-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1H-indole-2-carbonitrile);2-amino-5-(2,2,2-trifluoroethyl)thiophene-3-carboxamide;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;2,4-dichloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;methane;5-methoxy-4-methyl-1H-indole-2-carbonitrile;2-[2-(4-methoxyphenyl)ethyl]-N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;5-[[4-[[2-[2-(4-methoxyphenyl)ethyl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1H-indole-2-carbonitrile;(4-methoxyphenyl)methanamine;phosphoryl trichloride;2-(2,2,2-trifluoroethyl)-7H-thieno[3,2-c]pyridine-4,6-dione?
The canonical SMILES for bis(5-[[4-[[2-amino-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1H-indole-2-carbonitrile);2-amino-5-(2,2,2-trifluoroethyl)thiophene-3-carboxamide;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;2,4-dichloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;methane;5-methoxy-4-methyl-1H-indole-2-carbonitrile;2-[2-(4-methoxyphenyl)ethyl]-N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;5-[[4-[[2-[2-(4-methoxyphenyl)ethyl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1H-indole-2-carbonitrile;(4-methoxyphenyl)methanamine;phosphoryl trichloride;2-(2,2,2-trifluoroethyl)-7H-thieno[3,2-c]pyridine-4,6-dione is C.CC(C)(C)OC(=O)N1CCC(N)CC1.CC(C)(C)OC(=O)N1CCC(Nc2nc(Cl)nc3sc(CC(F)(F)F)cc23)CC1.COc1ccc(CCc2nc(NC3CCN(Cc4ccc5[nH]c(C#N)cc5c4C)CC3)c3cc(CC(F)(F)F)sc3n2)cc1.COc1ccc(CCc2nc(NC3CCNCC3)c3cc(CC(F)(F)F)sc3n2)cc1.COc1ccc(CN)cc1.COc1ccc2[nH]c(C#N)cc2c1C.Cc1c(CN2CCC(Nc3nc(N)nc4sc(CC(F)(F)F)cc34)CC2)ccc2[nH]c(C#N)cc12.Cc1c(CN2CCC(Nc3nc(N)nc4sc(CC(F)(F)F)cc34)CC2)ccc2[nH]c(C#N)cc12.FC(F)(F)Cc1cc2c(Cl)nc(Cl)nc2s1.NC(=O)c1cc(CC(F)(F)F)sc1N.O=C1Cc2sc(CC(F)(F)F)cc2C(=O)N1.O=P(Cl)(Cl)Cl.
What is the InChIKey of bis(5-[[4-[[2-amino-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1H-indole-2-carbonitrile);2-amino-5-(2,2,2-trifluoroethyl)thiophene-3-carboxamide;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;2,4-dichloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;methane;5-methoxy-4-methyl-1H-indole-2-carbonitrile;2-[2-(4-methoxyphenyl)ethyl]-N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;5-[[4-[[2-[2-(4-methoxyphenyl)ethyl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1H-indole-2-carbonitrile;(4-methoxyphenyl)methanamine;phosphoryl trichloride;2-(2,2,2-trifluoroethyl)-7H-thieno[3,2-c]pyridine-4,6-dione?
The InChIKey is TUXJTMUXLWGVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33F3N6OS.2C24H24F3N7S.C22H25F3N4OS.C18H22ClF3N4O2S.C11H10N2O.C10H20N2O2.C9H6F3NO2S.C8H3Cl2F3N2S.C8H11NO.C7H7F3N2OS.CH4.Cl3OP/c1-20-22(6-9-29-27(20)15-24(18-37)38-29)19-42-13-11-23(12-14-42)39-31-28-16-26(17-33(34,35)36)44-32(28)41-30(40-31)10-5-21-3-7-25(43-2)8-4-21;2*1-13-14(2-3-20-18(13)8-16(11-28)30-20)12-34-6-4-15(5-7-34)31-21-19-9-17(10-24(25,26)27)35-22(19)33-23(29)32-21;1-30-16-5-2-14(3-6-16)4-7-19-28-20(27-15-8-10-26-11-9-15)18-12-17(13-22(23,24)25)31-21(18)29-19;1-17(2,3)28-16(27)26-6-4-10(5-7-26)23-13-12-8-11(9-18(20,21)22)29-14(12)25-15(19)24-13;1-7-9-5-8(6-12)13-10(9)3-4-11(7)14-2;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;10-9(11,12)3-4-1-5-6(16-4)2-7(14)13-8(5)15;9-5-4-1-3(2-8(11,12)13)16-6(4)15-7(10)14-5;1-10-8-4-2-7(6-9)3-5-8;8-7(9,10)2-3-1-4(5(11)13)6(12)14-3;;1-5(2,3)4/h3-4,6-9,15-16,23,38H,5,10-14,17,19H2,1-2H3,(H,39,40,41);2*2-3,8-9,15,30H,4-7,10,12H2,1H3,(H3,29,31,32,33);2-3,5-6,12,15,26H,4,7-11,13H2,1H3,(H,27,28,29);8,10H,4-7,9H2,1-3H3,(H,23,24,25);3-5,13H,1-2H3;8H,4-7,11H2,1-3H3;1H,2-3H2,(H,13,14,15);1H,2H2;2-5H,6,9H2,1H3;1H,2,12H2,(H2,11,13);1H4;.
What are the key properties of bis(5-[[4-[[2-amino-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1H-indole-2-carbonitrile);2-amino-5-(2,2,2-trifluoroethyl)thiophene-3-carboxamide;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;2,4-dichloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;methane;5-methoxy-4-methyl-1H-indole-2-carbonitrile;2-[2-(4-methoxyphenyl)ethyl]-N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;5-[[4-[[2-[2-(4-methoxyphenyl)ethyl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1H-indole-2-carbonitrile;(4-methoxyphenyl)methanamine;phosphoryl trichloride;2-(2,2,2-trifluoroethyl)-7H-thieno[3,2-c]pyridine-4,6-dione?
bis(5-[[4-[[2-amino-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1H-indole-2-carbonitrile);2-amino-5-(2,2,2-trifluoroethyl)thiophene-3-carboxamide;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;2,4-dichloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;methane;5-methoxy-4-methyl-1H-indole-2-carbonitrile;2-[2-(4-methoxyphenyl)ethyl]-N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;5-[[4-[[2-[2-(4-methoxyphenyl)ethyl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1H-indole-2-carbonitrile;(4-methoxyphenyl)methanamine;phosphoryl trichloride;2-(2,2,2-trifluoroethyl)-7H-thieno[3,2-c]pyridine-4,6-dione has a molecular weight of 3972.87 g/mol, XLogP of 43.18, 36 rotatable bonds, 17 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-[[4-[[2-amino-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1H-indole-2-carbonitrile);2-amino-5-(2,2,2-trifluoroethyl)thiophene-3-carboxamide;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;2,4-dichloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;methane;5-methoxy-4-methyl-1H-indole-2-carbonitrile;2-[2-(4-methoxyphenyl)ethyl]-N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;5-[[4-[[2-[2-(4-methoxyphenyl)ethyl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1H-indole-2-carbonitrile;(4-methoxyphenyl)methanamine;phosphoryl trichloride;2-(2,2,2-trifluoroethyl)-7H-thieno[3,2-c]pyridine-4,6-dione is sourced from PubChem (CID 160993229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).