About 5-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;6-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;5-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(9-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole
5-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;6-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;5-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(9-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole (PubChem CID 157156199) has the molecular formula C170H167F6N31O10S3
and a molecular weight of 3014.60 g/mol. Its IUPAC name is 5-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;6-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;5-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(9-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole.
Frequently Asked Questions
What is the IUPAC name of 5-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;6-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;5-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(9-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole?
The IUPAC name of 5-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;6-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;5-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(9-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole (CID 157156199) is 5-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;6-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;5-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(9-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole.
What is the SMILES notation for 5-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;6-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;5-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(9-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole?
The canonical SMILES for 5-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;6-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;5-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(9-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole is CN(C)c1nc2cc(N3CCc4oc5ccc(F)cc5c4C3)ccc2o1.CN(C)c1nc2ccc(N3CCc4c(c5cc(F)cnc5n4C)C3)cc2s1.CN(C)c1nc2ccc(N3CCc4oc5ccc(F)cc5c4C3)cc2o1.Cc1ccc2c(c1)c1c(n2C)CCN(c2ccc3nc(N(C)C)oc3c2)C1.Cc1ccc2c(c1)c1c(n2C)CCN(c2ccc3sc(N(C)C)nc3c2)C1.Fc1ccc2[nH]c3c(c2c1)CN(c1ccc2oc(N4CCOCC4)nc2c1)CC3.Fc1ccc2[nH]c3c(c2c1)CN(c1ccc2sc(N4CCOCC4)nc2c1)CC3.Fc1cccc2[nH]c3c(c12)CN(c1ccc2nc(N4CCOCC4)oc2c1)CC3.
What is the InChIKey of 5-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;6-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;5-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(9-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole?
The InChIKey is ALVJLGFFHAFEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H21FN4O2.C22H21FN4OS.C22H24N4O.C22H24N4S.C20H20FN5S.2C20H18FN3O2/c23-14-1-3-18-16(11-14)17-13-27(6-5-19(17)24-18)15-2-4-21-20(12-15)25-22(29-21)26-7-9-28-10-8-26;23-16-2-1-3-19-21(16)15-13-27(7-6-17(15)24-19)14-4-5-18-20(12-14)29-22(25-18)26-8-10-28-11-9-26;23-14-1-3-18-16(11-14)17-13-27(6-5-19(17)24-18)15-2-4-21-20(12-15)25-22(29-21)26-7-9-28-10-8-26;1-14-5-8-19-16(11-14)17-13-26(10-9-20(17)25(19)4)15-6-7-18-21(12-15)27-22(23-18)24(2)3;1-14-5-7-19-16(11-14)17-13-26(10-9-20(17)25(19)4)15-6-8-21-18(12-15)23-22(27-21)24(2)3;1-24(2)20-23-16-5-4-13(9-18(16)27-20)26-7-6-17-15(11-26)14-8-12(21)10-22-19(14)25(17)3;1-23(2)20-22-16-5-4-13(10-19(16)26-20)24-8-7-18-15(11-24)14-9-12(21)3-6-17(14)25-18;1-23(2)20-22-16-10-13(4-6-19(16)26-20)24-8-7-18-15(11-24)14-9-12(21)3-5-17(14)25-18/h1-4,11-12,24H,5-10,13H2;1-5,12,24H,6-11,13H2;1-4,11-12,24H,5-10,13H2;2*5-8,11-12H,9-10,13H2,1-4H3;4-5,8-10H,6-7,11H2,1-3H3;2*3-6,9-10H,7-8,11H2,1-2H3.
What are the key properties of 5-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;6-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;5-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(9-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole?
5-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;6-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;5-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(9-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole has a molecular weight of 3014.60 g/mol, XLogP of 33.63, 16 rotatable bonds, 3 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;6-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;5-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(9-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole is sourced from PubChem (CID 157156199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).