About 4-bromo-5-(trifluoromethyl)-1H-indazole;bis(2-[[4-bromo-5-(trifluoromethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane);tert-butyl 4-[2-(3-morpholin-4-ylpropoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;1-[1-[2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl]prop-2-en-1-one;4-[3-[[4-piperidin-1-yl-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]propyl]morpholine;prop-2-enoyl prop-2-enoate
4-bromo-5-(trifluoromethyl)-1H-indazole;bis(2-[[4-bromo-5-(trifluoromethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane);tert-butyl 4-[2-(3-morpholin-4-ylpropoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;1-[1-[2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl]prop-2-en-1-one;4-[3-[[4-piperidin-1-yl-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]propyl]morpholine;prop-2-enoyl prop-2-enoate (PubChem CID 160869106) has the molecular formula C159H209Br3F18N34O19Si3
and a molecular weight of 3566.57 g/mol. Its IUPAC name is 4-bromo-5-(trifluoromethyl)-1H-indazole;bis(2-[[4-bromo-5-(trifluoromethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane);tert-butyl 4-[2-(3-morpholin-4-ylpropoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;1-[1-[2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl]prop-2-en-1-one;4-[3-[[4-piperidin-1-yl-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]propyl]morpholine;prop-2-enoyl prop-2-enoate.
Frequently Asked Questions
What is the IUPAC name of 4-bromo-5-(trifluoromethyl)-1H-indazole;bis(2-[[4-bromo-5-(trifluoromethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane);tert-butyl 4-[2-(3-morpholin-4-ylpropoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;1-[1-[2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl]prop-2-en-1-one;4-[3-[[4-piperidin-1-yl-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]propyl]morpholine;prop-2-enoyl prop-2-enoate?
The IUPAC name of 4-bromo-5-(trifluoromethyl)-1H-indazole;bis(2-[[4-bromo-5-(trifluoromethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane);tert-butyl 4-[2-(3-morpholin-4-ylpropoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;1-[1-[2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl]prop-2-en-1-one;4-[3-[[4-piperidin-1-yl-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]propyl]morpholine;prop-2-enoyl prop-2-enoate (CID 160869106) is 4-bromo-5-(trifluoromethyl)-1H-indazole;bis(2-[[4-bromo-5-(trifluoromethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane);tert-butyl 4-[2-(3-morpholin-4-ylpropoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;1-[1-[2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl]prop-2-en-1-one;4-[3-[[4-piperidin-1-yl-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]propyl]morpholine;prop-2-enoyl prop-2-enoate.
What is the SMILES notation for 4-bromo-5-(trifluoromethyl)-1H-indazole;bis(2-[[4-bromo-5-(trifluoromethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane);tert-butyl 4-[2-(3-morpholin-4-ylpropoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;1-[1-[2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl]prop-2-en-1-one;4-[3-[[4-piperidin-1-yl-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]propyl]morpholine;prop-2-enoyl prop-2-enoate?
The canonical SMILES for 4-bromo-5-(trifluoromethyl)-1H-indazole;bis(2-[[4-bromo-5-(trifluoromethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane);tert-butyl 4-[2-(3-morpholin-4-ylpropoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;1-[1-[2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl]prop-2-en-1-one;4-[3-[[4-piperidin-1-yl-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]propyl]morpholine;prop-2-enoyl prop-2-enoate is C=CC(=O)C1CCN(c2nc(OCCCN3CCOCC3)nc3c2CCN(c2c(C(F)(F)F)ccc4[nH]ncc24)C3)CC1.C=CC(=O)OC(=O)C=C.CC(C)(C)OC(=O)N1CCN(c2nc(OCCCN3CCOCC3)nc3c2CCN(c2c(C(F)(F)F)ccc4c2cnn4COCC[Si](C)(C)C)C3)CC1.CC(C)(C)OC(=O)N1CCN(c2nc(OCCCN3CCOCC3)nc3c2CCNC3)CC1.C[Si](C)(C)CCOCn1ncc2c(Br)c(C(F)(F)F)ccc21.C[Si](C)(C)CCOCn1ncc2c(Br)c(C(F)(F)F)ccc21.FC(F)(F)c1ccc2[nH]ncc2c1Br.FC(F)(F)c1ccc2[nH]ncc2c1N1CCc2c(nc(OCCCN3CCOCC3)nc2N2CCCCC2)C1.
What is the InChIKey of 4-bromo-5-(trifluoromethyl)-1H-indazole;bis(2-[[4-bromo-5-(trifluoromethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane);tert-butyl 4-[2-(3-morpholin-4-ylpropoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;1-[1-[2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl]prop-2-en-1-one;4-[3-[[4-piperidin-1-yl-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]propyl]morpholine;prop-2-enoyl prop-2-enoate?
The InChIKey is SLNHRAONDCKFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H55F3N8O5Si.C30H36F3N7O3.C27H34F3N7O2.C23H38N6O4.2C14H18BrF3N2OSi.C8H4BrF3N2.C6H6O3/c1-36(2,3)53-35(49)46-15-13-45(14-16-46)33-27-10-12-47(25-30(27)42-34(43-33)52-19-7-11-44-17-20-50-21-18-44)32-28-24-41-48(26-51-22-23-54(4,5)6)31(28)9-8-29(32)37(38,39)40;1-2-26(41)20-6-10-39(11-7-20)28-21-8-12-40(27-22-18-34-37-24(22)5-4-23(27)30(31,32)33)19-25(21)35-29(36-28)43-15-3-9-38-13-16-42-17-14-38;28-27(29,30)21-5-6-22-20(17-31-34-22)24(21)37-11-7-19-23(18-37)32-26(33-25(19)36-9-2-1-3-10-36)39-14-4-8-35-12-15-38-16-13-35;1-23(2,3)33-22(30)29-10-8-28(9-11-29)20-18-5-6-24-17-19(18)25-21(26-20)32-14-4-7-27-12-15-31-16-13-27;2*1-22(2,3)7-6-21-9-20-12-5-4-11(14(16,17)18)13(15)10(12)8-19-20;9-7-4-3-13-14-6(4)2-1-5(7)8(10,11)12;1-3-5(7)9-6(8)4-2/h8-9,24H,7,10-23,25-26H2,1-6H3;2,4-5,18,20H,1,3,6-17,19H2,(H,34,37);5-6,17H,1-4,7-16,18H2,(H,31,34);24H,4-17H2,1-3H3;2*4-5,8H,6-7,9H2,1-3H3;1-3H,(H,13,14);3-4H,1-2H2.
What are the key properties of 4-bromo-5-(trifluoromethyl)-1H-indazole;bis(2-[[4-bromo-5-(trifluoromethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane);tert-butyl 4-[2-(3-morpholin-4-ylpropoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;1-[1-[2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl]prop-2-en-1-one;4-[3-[[4-piperidin-1-yl-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]propyl]morpholine;prop-2-enoyl prop-2-enoate?
4-bromo-5-(trifluoromethyl)-1H-indazole;bis(2-[[4-bromo-5-(trifluoromethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane);tert-butyl 4-[2-(3-morpholin-4-ylpropoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;1-[1-[2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl]prop-2-en-1-one;4-[3-[[4-piperidin-1-yl-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]propyl]morpholine;prop-2-enoyl prop-2-enoate has a molecular weight of 3566.57 g/mol, XLogP of 29.22, 46 rotatable bonds, 4 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(trifluoromethyl)-1H-indazole;bis(2-[[4-bromo-5-(trifluoromethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane);tert-butyl 4-[2-(3-morpholin-4-ylpropoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;1-[1-[2-(3-morpholin-4-ylpropoxy)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl]prop-2-en-1-one;4-[3-[[4-piperidin-1-yl-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]propyl]morpholine;prop-2-enoyl prop-2-enoate is sourced from PubChem (CID 160869106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).