1-(7-bromo-2-ethyl-6-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;6-chloro-7-(dimethylamino)-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;6-chloro-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-(methylamino)imidazo[1,2-a]pyrimidine-3-carboxamide;1-[6-chloro-2-ethyl-7-(methylamino)imidazo[1,2-a]pyridin-3-yl]-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;6-ethoxy-3-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine-2-carboxamide;1-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-3-[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;5-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-10,13-dioxa-3,6-diazatricyclo[7.4.0.03,7]trideca-1,4,6,8-tetraene-4-carboxamide;1-(5-ethyl-11-oxa-2,4,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-6-yl)-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one

C184H186BrCl3F33N53O29S8 — CID 167539979

IUPAC1-(7-bromo-2-ethyl-6-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;6-chloro-7-(dimethylamino)-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;6-chloro-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-(methylamino)imidazo[1,2-a]pyrimidine-3-carboxamide;1-[6-chloro-2-ethyl-7-(methylamino)imidazo[1,2-a]pyridin-3-yl]-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;6-ethoxy-3-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine-2-carboxamide;1-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-3-[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;5-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-10,13-dioxa-3,6-diazatricyclo[7.4.0.03,7]trideca-1,4,6,8-tetraene-4-carboxamide;1-(5-ethyl-11-oxa-2,4,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-6-yl)-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one
SMILESCCOc1cn2c(CC)c(C(=O)NCc3ccc(N4CCN(S(=O)(=O)C(F)(F)F)C=N4)c(F)c3)nc2nc1N1CCCC1.CCc1nc2cc(Br)c(C)cn2c1C(=O)CCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.CCc1nc2cc(NC)c(Cl)cn2c1C(=O)CCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.CCc1nc2cc3c(cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1)OCCO3.CCc1nc2nc(N(C)C)c(Cl)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.CCc1nc2nc(NC)c(Cl)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.CCc1nc2nc3c(cn2c1C(=O)CCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1)COCC3.CCc1nc2ncc(F)cn2c1C(=O)CCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(OC)=N2)c(F)c1
InChIInChI=1S/C26H30F4N8O4S.C24H24F4N6O4S.C23H22BrF4N5O3S.C23H23ClF4N6O3S.C23H22F4N6O5S.C22H23ClF4N8O3S.C22H21F5N6O4S.C21H21ClF4N8O3S/c1-3-19-22(33-25-34-23(35-9-5-6-10-35)21(42-4-2)15-37(19)25)24(39)31-14-17-7-8-20(18(27)13-17)38-12-11-36(16-32-38)43(40,41)26(28,29)30;1-2-18-22(33-12-16-13-38-10-7-19(16)31-23(33)30-18)21(35)6-4-15-3-5-20(17(25)11-15)34-9-8-32(14-29-34)39(36,37)24(26,27)28;1-3-18-22(32-12-14(2)16(24)11-21(32)30-18)20(34)7-5-15-4-6-19(17(25)10-15)33-9-8-31(13-29-33)37(35,36)23(26,27)28;1-3-17-22(33-12-15(24)18(29-2)11-21(33)31-17)20(35)7-5-14-4-6-19(16(25)10-14)34-9-8-32(13-30-34)38(36,37)23(26,27)28;1-2-16-21(32-12-19-18(10-20(32)30-16)37-7-8-38-19)22(34)28-11-14-3-4-17(15(24)9-14)33-6-5-31(13-29-33)39(35,36)23(25,26)27;1-4-16-18(34-11-14(23)19(32(2)3)31-21(34)30-16)20(36)28-10-13-5-6-17(15(24)9-13)35-8-7-33(12-29-35)39(37,38)22(25,26)27;1-3-16-19(31-12-14(23)11-28-20(31)29-16)18(34)7-5-13-4-6-17(15(24)10-13)32-8-9-33(21(30-32)37-2)38(35,36)22(25,26)27;1-3-15-17(33-10-13(22)18(27-2)31-20(33)30-15)19(35)28-9-12-4-5-16(14(23)8-12)34-7-6-32(11-29-34)38(36,37)21(24,25)26/h7-8,13,15-16H,3-6,9-12,14H2,1-2H3,(H,31,39);3,5,11-12,14H,2,4,6-10,13H2,1H3;4,6,10-13H,3,5,7-9H2,1-2H3;4,6,10-13,29H,3,5,7-9H2,1-2H3;3-4,9-10,12-13H,2,5-8,11H2,1H3,(H,28,34);5-6,9,11-12H,4,7-8,10H2,1-3H3,(H,28,36);4,6,10-12H,3,5,7-9H2,1-2H3;4-5,8,10-11H,3,6-7,9H2,1-2H3,(H,28,35)(H,27,30,31)
InChIKeyBBAZVNPPMASQEQ-UHFFFAOYSA-N
MW4673.59 g/mol
LogP27.70
Rot. Bonds58

About 1-(7-bromo-2-ethyl-6-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;6-chloro-7-(dimethylamino)-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;6-chloro-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-(methylamino)imidazo[1,2-a]pyrimidine-3-carboxamide;1-[6-chloro-2-ethyl-7-(methylamino)imidazo[1,2-a]pyridin-3-yl]-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;6-ethoxy-3-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine-2-carboxamide;1-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-3-[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;5-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-10,13-dioxa-3,6-diazatricyclo[7.4.0.03,7]trideca-1,4,6,8-tetraene-4-carboxamide;1-(5-ethyl-11-oxa-2,4,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-6-yl)-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one

1-(7-bromo-2-ethyl-6-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;6-chloro-7-(dimethylamino)-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;6-chloro-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-(methylamino)imidazo[1,2-a]pyrimidine-3-carboxamide;1-[6-chloro-2-ethyl-7-(methylamino)imidazo[1,2-a]pyridin-3-yl]-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;6-ethoxy-3-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine-2-carboxamide;1-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-3-[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;5-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-10,13-dioxa-3,6-diazatricyclo[7.4.0.03,7]trideca-1,4,6,8-tetraene-4-carboxamide;1-(5-ethyl-11-oxa-2,4,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-6-yl)-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one (PubChem CID 167539979) has the molecular formula C184H186BrCl3F33N53O29S8 and a molecular weight of 4673.59 g/mol. Its IUPAC name is 1-(7-bromo-2-ethyl-6-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;6-chloro-7-(dimethylamino)-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;6-chloro-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-(methylamino)imidazo[1,2-a]pyrimidine-3-carboxamide;1-[6-chloro-2-ethyl-7-(methylamino)imidazo[1,2-a]pyridin-3-yl]-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;6-ethoxy-3-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine-2-carboxamide;1-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-3-[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;5-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-10,13-dioxa-3,6-diazatricyclo[7.4.0.03,7]trideca-1,4,6,8-tetraene-4-carboxamide;1-(5-ethyl-11-oxa-2,4,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-6-yl)-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one.

Molecular Properties

Compound Name1-(7-bromo-2-ethyl-6-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;6-chloro-7-(dimethylamino)-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;6-chloro-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-(methylamino)imidazo[1,2-a]pyrimidine-3-carboxamide;1-[6-chloro-2-ethyl-7-(methylamino)imidazo[1,2-a]pyridin-3-yl]-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;6-ethoxy-3-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine-2-carboxamide;1-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-3-[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;5-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-10,13-dioxa-3,6-diazatricyclo[7.4.0.03,7]trideca-1,4,6,8-tetraene-4-carboxamide;1-(5-ethyl-11-oxa-2,4,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-6-yl)-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one
PubChem CID167539979
Molecular FormulaC184H186BrCl3F33N53O29S8
Molecular Weight4673.59 g/mol
Exact Mass4668.02
IUPAC Name1-(7-bromo-2-ethyl-6-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;6-chloro-7-(dimethylamino)-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;6-chloro-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-(methylamino)imidazo[1,2-a]pyrimidine-3-carboxamide;1-[6-chloro-2-ethyl-7-(methylamino)imidazo[1,2-a]pyridin-3-yl]-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;6-ethoxy-3-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine-2-carboxamide;1-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-3-[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;5-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-10,13-dioxa-3,6-diazatricyclo[7.4.0.03,7]trideca-1,4,6,8-tetraene-4-carboxamide;1-(5-ethyl-11-oxa-2,4,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-6-yl)-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one
SMILESCCOc1cn2c(CC)c(C(=O)NCc3ccc(N4CCN(S(=O)(=O)C(F)(F)F)C=N4)c(F)c3)nc2nc1N1CCCC1.CCc1nc2cc(Br)c(C)cn2c1C(=O)CCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.CCc1nc2cc(NC)c(Cl)cn2c1C(=O)CCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.CCc1nc2cc3c(cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1)OCCO3.CCc1nc2nc(N(C)C)c(Cl)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.CCc1nc2nc(NC)c(Cl)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.CCc1nc2nc3c(cn2c1C(=O)CCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1)COCC3.CCc1nc2ncc(F)cn2c1C(=O)CCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(OC)=N2)c(F)c1
InChIInChI=1S/C26H30F4N8O4S.C24H24F4N6O4S.C23H22BrF4N5O3S.C23H23ClF4N6O3S.C23H22F4N6O5S.C22H23ClF4N8O3S.C22H21F5N6O4S.C21H21ClF4N8O3S/c1-3-19-22(33-25-34-23(35-9-5-6-10-35)21(42-4-2)15-37(19)25)24(39)31-14-17-7-8-20(18(27)13-17)38-12-11-36(16-32-38)43(40,41)26(28,29)30;1-2-18-22(33-12-16-13-38-10-7-19(16)31-23(33)30-18)21(35)6-4-15-3-5-20(17(25)11-15)34-9-8-32(14-29-34)39(36,37)24(26,27)28;1-3-18-22(32-12-14(2)16(24)11-21(32)30-18)20(34)7-5-15-4-6-19(17(25)10-15)33-9-8-31(13-29-33)37(35,36)23(26,27)28;1-3-17-22(33-12-15(24)18(29-2)11-21(33)31-17)20(35)7-5-14-4-6-19(16(25)10-14)34-9-8-32(13-30-34)38(36,37)23(26,27)28;1-2-16-21(32-12-19-18(10-20(32)30-16)37-7-8-38-19)22(34)28-11-14-3-4-17(15(24)9-14)33-6-5-31(13-29-33)39(35,36)23(25,26)27;1-4-16-18(34-11-14(23)19(32(2)3)31-21(34)30-16)20(36)28-10-13-5-6-17(15(24)9-13)35-8-7-33(12-29-35)39(37,38)22(25,26)27;1-3-16-19(31-12-14(23)11-28-20(31)29-16)18(34)7-5-13-4-6-17(15(24)10-13)32-8-9-33(21(30-32)37-2)38(35,36)22(25,26)27;1-3-15-17(33-10-13(22)18(27-2)31-20(33)30-15)19(35)28-9-12-4-5-16(14(23)8-12)34-7-6-32(11-29-34)38(36,37)21(24,25)26/h7-8,13,15-16H,3-6,9-12,14H2,1-2H3,(H,31,39);3,5,11-12,14H,2,4,6-10,13H2,1H3;4,6,10-13H,3,5,7-9H2,1-2H3;4,6,10-13,29H,3,5,7-9H2,1-2H3;3-4,9-10,12-13H,2,5-8,11H2,1H3,(H,28,34);5-6,9,11-12H,4,7-8,10H2,1-3H3,(H,28,36);4,6,10-12H,3,5,7-9H2,1-2H3;4-5,8,10-11H,3,6-7,9H2,1-2H3,(H,28,35)(H,27,30,31)
InChIKeyBBAZVNPPMASQEQ-UHFFFAOYSA-N
XLogP27.70
TPSA888.06 Ų
H-Bond Donors6
H-Bond Acceptors70
Rotatable Bonds58
Heavy Atoms311
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004673.59
LogP ≤ 527.70
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1070

Analyze 1-(7-bromo-2-ethyl-6-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;6-chloro-7-(dimethylamino)-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;6-chloro-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-(methylamino)imidazo[1,2-a]pyrimidine-3-carboxamide;1-[6-chloro-2-ethyl-7-(methylamino)imidazo[1,2-a]pyridin-3-yl]-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;6-ethoxy-3-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine-2-carboxamide;1-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-3-[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;5-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-10,13-dioxa-3,6-diazatricyclo[7.4.0.03,7]trideca-1,4,6,8-tetraene-4-carboxamide;1-(5-ethyl-11-oxa-2,4,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-6-yl)-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-2-ethyl-6-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;6-chloro-7-(dimethylamino)-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;6-chloro-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-(methylamino)imidazo[1,2-a]pyrimidine-3-carboxamide;1-[6-chloro-2-ethyl-7-(methylamino)imidazo[1,2-a]pyridin-3-yl]-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;6-ethoxy-3-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine-2-carboxamide;1-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-3-[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;5-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-10,13-dioxa-3,6-diazatricyclo[7.4.0.03,7]trideca-1,4,6,8-tetraene-4-carboxamide;1-(5-ethyl-11-oxa-2,4,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-6-yl)-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one?
The IUPAC name of 1-(7-bromo-2-ethyl-6-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;6-chloro-7-(dimethylamino)-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;6-chloro-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-(methylamino)imidazo[1,2-a]pyrimidine-3-carboxamide;1-[6-chloro-2-ethyl-7-(methylamino)imidazo[1,2-a]pyridin-3-yl]-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;6-ethoxy-3-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine-2-carboxamide;1-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-3-[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;5-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-10,13-dioxa-3,6-diazatricyclo[7.4.0.03,7]trideca-1,4,6,8-tetraene-4-carboxamide;1-(5-ethyl-11-oxa-2,4,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-6-yl)-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one (CID 167539979) is 1-(7-bromo-2-ethyl-6-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;6-chloro-7-(dimethylamino)-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;6-chloro-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-(methylamino)imidazo[1,2-a]pyrimidine-3-carboxamide;1-[6-chloro-2-ethyl-7-(methylamino)imidazo[1,2-a]pyridin-3-yl]-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;6-ethoxy-3-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine-2-carboxamide;1-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-3-[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;5-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-10,13-dioxa-3,6-diazatricyclo[7.4.0.03,7]trideca-1,4,6,8-tetraene-4-carboxamide;1-(5-ethyl-11-oxa-2,4,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-6-yl)-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one.
What is the SMILES notation for 1-(7-bromo-2-ethyl-6-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;6-chloro-7-(dimethylamino)-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;6-chloro-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-(methylamino)imidazo[1,2-a]pyrimidine-3-carboxamide;1-[6-chloro-2-ethyl-7-(methylamino)imidazo[1,2-a]pyridin-3-yl]-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;6-ethoxy-3-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine-2-carboxamide;1-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-3-[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;5-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-10,13-dioxa-3,6-diazatricyclo[7.4.0.03,7]trideca-1,4,6,8-tetraene-4-carboxamide;1-(5-ethyl-11-oxa-2,4,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-6-yl)-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one?
The canonical SMILES for 1-(7-bromo-2-ethyl-6-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;6-chloro-7-(dimethylamino)-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;6-chloro-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-(methylamino)imidazo[1,2-a]pyrimidine-3-carboxamide;1-[6-chloro-2-ethyl-7-(methylamino)imidazo[1,2-a]pyridin-3-yl]-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;6-ethoxy-3-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine-2-carboxamide;1-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-3-[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;5-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-10,13-dioxa-3,6-diazatricyclo[7.4.0.03,7]trideca-1,4,6,8-tetraene-4-carboxamide;1-(5-ethyl-11-oxa-2,4,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-6-yl)-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one is CCOc1cn2c(CC)c(C(=O)NCc3ccc(N4CCN(S(=O)(=O)C(F)(F)F)C=N4)c(F)c3)nc2nc1N1CCCC1.CCc1nc2cc(Br)c(C)cn2c1C(=O)CCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.CCc1nc2cc(NC)c(Cl)cn2c1C(=O)CCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.CCc1nc2cc3c(cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1)OCCO3.CCc1nc2nc(N(C)C)c(Cl)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.CCc1nc2nc(NC)c(Cl)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.CCc1nc2nc3c(cn2c1C(=O)CCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1)COCC3.CCc1nc2ncc(F)cn2c1C(=O)CCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(OC)=N2)c(F)c1.
What is the InChIKey of 1-(7-bromo-2-ethyl-6-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;6-chloro-7-(dimethylamino)-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;6-chloro-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-(methylamino)imidazo[1,2-a]pyrimidine-3-carboxamide;1-[6-chloro-2-ethyl-7-(methylamino)imidazo[1,2-a]pyridin-3-yl]-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;6-ethoxy-3-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine-2-carboxamide;1-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-3-[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;5-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-10,13-dioxa-3,6-diazatricyclo[7.4.0.03,7]trideca-1,4,6,8-tetraene-4-carboxamide;1-(5-ethyl-11-oxa-2,4,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-6-yl)-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one?
The InChIKey is BBAZVNPPMASQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F4N8O4S.C24H24F4N6O4S.C23H22BrF4N5O3S.C23H23ClF4N6O3S.C23H22F4N6O5S.C22H23ClF4N8O3S.C22H21F5N6O4S.C21H21ClF4N8O3S/c1-3-19-22(33-25-34-23(35-9-5-6-10-35)21(42-4-2)15-37(19)25)24(39)31-14-17-7-8-20(18(27)13-17)38-12-11-36(16-32-38)43(40,41)26(28,29)30;1-2-18-22(33-12-16-13-38-10-7-19(16)31-23(33)30-18)21(35)6-4-15-3-5-20(17(25)11-15)34-9-8-32(14-29-34)39(36,37)24(26,27)28;1-3-18-22(32-12-14(2)16(24)11-21(32)30-18)20(34)7-5-15-4-6-19(17(25)10-15)33-9-8-31(13-29-33)37(35,36)23(26,27)28;1-3-17-22(33-12-15(24)18(29-2)11-21(33)31-17)20(35)7-5-14-4-6-19(16(25)10-14)34-9-8-32(13-30-34)38(36,37)23(26,27)28;1-2-16-21(32-12-19-18(10-20(32)30-16)37-7-8-38-19)22(34)28-11-14-3-4-17(15(24)9-14)33-6-5-31(13-29-33)39(35,36)23(25,26)27;1-4-16-18(34-11-14(23)19(32(2)3)31-21(34)30-16)20(36)28-10-13-5-6-17(15(24)9-13)35-8-7-33(12-29-35)39(37,38)22(25,26)27;1-3-16-19(31-12-14(23)11-28-20(31)29-16)18(34)7-5-13-4-6-17(15(24)10-13)32-8-9-33(21(30-32)37-2)38(35,36)22(25,26)27;1-3-15-17(33-10-13(22)18(27-2)31-20(33)30-15)19(35)28-9-12-4-5-16(14(23)8-12)34-7-6-32(11-29-34)38(36,37)21(24,25)26/h7-8,13,15-16H,3-6,9-12,14H2,1-2H3,(H,31,39);3,5,11-12,14H,2,4,6-10,13H2,1H3;4,6,10-13H,3,5,7-9H2,1-2H3;4,6,10-13,29H,3,5,7-9H2,1-2H3;3-4,9-10,12-13H,2,5-8,11H2,1H3,(H,28,34);5-6,9,11-12H,4,7-8,10H2,1-3H3,(H,28,36);4,6,10-12H,3,5,7-9H2,1-2H3;4-5,8,10-11H,3,6-7,9H2,1-2H3,(H,28,35)(H,27,30,31).
What are the key properties of 1-(7-bromo-2-ethyl-6-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;6-chloro-7-(dimethylamino)-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;6-chloro-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-(methylamino)imidazo[1,2-a]pyrimidine-3-carboxamide;1-[6-chloro-2-ethyl-7-(methylamino)imidazo[1,2-a]pyridin-3-yl]-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;6-ethoxy-3-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine-2-carboxamide;1-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-3-[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;5-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-10,13-dioxa-3,6-diazatricyclo[7.4.0.03,7]trideca-1,4,6,8-tetraene-4-carboxamide;1-(5-ethyl-11-oxa-2,4,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-6-yl)-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one?
1-(7-bromo-2-ethyl-6-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;6-chloro-7-(dimethylamino)-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;6-chloro-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-(methylamino)imidazo[1,2-a]pyrimidine-3-carboxamide;1-[6-chloro-2-ethyl-7-(methylamino)imidazo[1,2-a]pyridin-3-yl]-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;6-ethoxy-3-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine-2-carboxamide;1-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-3-[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;5-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-10,13-dioxa-3,6-diazatricyclo[7.4.0.03,7]trideca-1,4,6,8-tetraene-4-carboxamide;1-(5-ethyl-11-oxa-2,4,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-6-yl)-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one has a molecular weight of 4673.59 g/mol, XLogP of 27.70, 58 rotatable bonds, 6 hydrogen bond donors, and 70 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-2-ethyl-6-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;6-chloro-7-(dimethylamino)-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;6-chloro-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-(methylamino)imidazo[1,2-a]pyrimidine-3-carboxamide;1-[6-chloro-2-ethyl-7-(methylamino)imidazo[1,2-a]pyridin-3-yl]-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;6-ethoxy-3-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine-2-carboxamide;1-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-3-[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;5-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-10,13-dioxa-3,6-diazatricyclo[7.4.0.03,7]trideca-1,4,6,8-tetraene-4-carboxamide;1-(5-ethyl-11-oxa-2,4,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-6-yl)-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one is sourced from PubChem (CID 167539979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).