About 1-(2-aminoprop-2-enyl)-6-methoxy-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-chloro-1-(cyclopenta-1,4-dien-1-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-(cyclopenta-1,4-dien-1-ylmethyl)-6-hydroxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;2,4-dimethyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indol-6-ol;N-[1-[(6-methoxy-2,4-dimethyl-1H-indol-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
1-(2-aminoprop-2-enyl)-6-methoxy-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-chloro-1-(cyclopenta-1,4-dien-1-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-(cyclopenta-1,4-dien-1-ylmethyl)-6-hydroxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;2,4-dimethyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indol-6-ol;N-[1-[(6-methoxy-2,4-dimethyl-1H-indol-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 158429719) has the molecular formula C135H137ClF15N29O4S5
and a molecular weight of 2710.54 g/mol. Its IUPAC name is 1-(2-aminoprop-2-enyl)-6-methoxy-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-chloro-1-(cyclopenta-1,4-dien-1-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-(cyclopenta-1,4-dien-1-ylmethyl)-6-hydroxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;2,4-dimethyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indol-6-ol;N-[1-[(6-methoxy-2,4-dimethyl-1H-indol-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine.
Frequently Asked Questions
What is the IUPAC name of 1-(2-aminoprop-2-enyl)-6-methoxy-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-chloro-1-(cyclopenta-1,4-dien-1-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-(cyclopenta-1,4-dien-1-ylmethyl)-6-hydroxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;2,4-dimethyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indol-6-ol;N-[1-[(6-methoxy-2,4-dimethyl-1H-indol-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 1-(2-aminoprop-2-enyl)-6-methoxy-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-chloro-1-(cyclopenta-1,4-dien-1-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-(cyclopenta-1,4-dien-1-ylmethyl)-6-hydroxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;2,4-dimethyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indol-6-ol;N-[1-[(6-methoxy-2,4-dimethyl-1H-indol-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine (CID 158429719) is 1-(2-aminoprop-2-enyl)-6-methoxy-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-chloro-1-(cyclopenta-1,4-dien-1-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-(cyclopenta-1,4-dien-1-ylmethyl)-6-hydroxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;2,4-dimethyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indol-6-ol;N-[1-[(6-methoxy-2,4-dimethyl-1H-indol-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(2-aminoprop-2-enyl)-6-methoxy-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-chloro-1-(cyclopenta-1,4-dien-1-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-(cyclopenta-1,4-dien-1-ylmethyl)-6-hydroxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;2,4-dimethyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indol-6-ol;N-[1-[(6-methoxy-2,4-dimethyl-1H-indol-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 1-(2-aminoprop-2-enyl)-6-methoxy-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-chloro-1-(cyclopenta-1,4-dien-1-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-(cyclopenta-1,4-dien-1-ylmethyl)-6-hydroxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;2,4-dimethyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indol-6-ol;N-[1-[(6-methoxy-2,4-dimethyl-1H-indol-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine is C=C(N)Cn1c(C#N)cc2c(C)c(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)c(OC)cc21.COc1cc2[nH]c(C)cc2c(C)c1CN1CCC(Nc2ncnc3sc(CC(F)(F)F)cc23)CC1.Cc1cc2c(C)c(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)c(O)cc2[nH]1.N#Cc1cc2c(Cl)c(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)ccc2n1CC1=CCC=C1.N#Cc1cc2cc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)c(O)cc2n1CC1=CCC=C1.
What is the InChIKey of 1-(2-aminoprop-2-enyl)-6-methoxy-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-chloro-1-(cyclopenta-1,4-dien-1-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-(cyclopenta-1,4-dien-1-ylmethyl)-6-hydroxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;2,4-dimethyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indol-6-ol;N-[1-[(6-methoxy-2,4-dimethyl-1H-indol-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is HBMVTVWJVHWPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26ClF3N6S.C29H27F3N6OS.C28H30F3N7OS.C25H28F3N5OS.C24H26F3N5OS/c30-26-19(5-6-25-23(26)11-21(14-34)39(25)15-18-3-1-2-4-18)16-38-9-7-20(8-10-38)37-27-24-12-22(13-29(31,32)33)40-28(24)36-17-35-27;30-29(31,32)13-23-11-24-27(34-17-35-28(24)40-23)36-21-5-7-37(8-6-21)16-20-9-19-10-22(14-33)38(25(19)12-26(20)39)15-18-3-1-2-4-18;1-16(33)13-38-19(12-32)8-21-17(2)23(25(39-3)10-24(21)38)14-37-6-4-18(5-7-37)36-26-22-9-20(11-28(29,30)31)40-27(22)35-15-34-26;1-14-8-18-15(2)20(22(34-3)10-21(18)31-14)12-33-6-4-16(5-7-33)32-23-19-9-17(11-25(26,27)28)35-24(19)30-13-29-23;1-13-7-17-14(2)19(21(33)9-20(17)30-13)11-32-5-3-15(4-6-32)31-22-18-8-16(10-24(25,26)27)34-23(18)29-12-28-22/h1,3-6,11-12,17,20H,2,7-10,13,15-16H2,(H,35,36,37);1,3-4,9-12,17,21,39H,2,5-8,13,15-16H2,(H,34,35,36);8-10,15,18H,1,4-7,11,13-14,33H2,2-3H3,(H,34,35,36);8-10,13,16,31H,4-7,11-12H2,1-3H3,(H,29,30,32);7-9,12,15,30,33H,3-6,10-11H2,1-2H3,(H,28,29,31).
What are the key properties of 1-(2-aminoprop-2-enyl)-6-methoxy-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-chloro-1-(cyclopenta-1,4-dien-1-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-(cyclopenta-1,4-dien-1-ylmethyl)-6-hydroxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;2,4-dimethyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indol-6-ol;N-[1-[(6-methoxy-2,4-dimethyl-1H-indol-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?
1-(2-aminoprop-2-enyl)-6-methoxy-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-chloro-1-(cyclopenta-1,4-dien-1-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-(cyclopenta-1,4-dien-1-ylmethyl)-6-hydroxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;2,4-dimethyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indol-6-ol;N-[1-[(6-methoxy-2,4-dimethyl-1H-indol-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 2710.54 g/mol, XLogP of 30.67, 33 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoprop-2-enyl)-6-methoxy-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-chloro-1-(cyclopenta-1,4-dien-1-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-(cyclopenta-1,4-dien-1-ylmethyl)-6-hydroxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;2,4-dimethyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indol-6-ol;N-[1-[(6-methoxy-2,4-dimethyl-1H-indol-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 158429719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).