6-chloro-N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]methyl]-2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxamide;1-(7-chloro-2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;1-(6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]propan-1-one;3-[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]-1-(2-ethyl-8-fluoro-6-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one;N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]methyl]-2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide;2-ethyl-6-fluoro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-phenylmethoxyimidazo[1,2-a]pyrimidine-3-carboxamide;2-ethyl-6-fluoro-3-[3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propanoyl]-8H-imidazo[1,2-a]pyrimidin-7-one

C171H163Cl3F25N49O16S3 — CID 167585113

IUPAC6-chloro-N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]methyl]-2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxamide;1-(7-chloro-2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;1-(6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]propan-1-one;3-[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]-1-(2-ethyl-8-fluoro-6-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one;N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]methyl]-2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide;2-ethyl-6-fluoro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-phenylmethoxyimidazo[1,2-a]pyrimidine-3-carboxamide;2-ethyl-6-fluoro-3-[3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propanoyl]-8H-imidazo[1,2-a]pyrimidin-7-one
SMILESCCc1nc2[nH]c(=O)c(F)cn2c1C(=O)CCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.CCc1nc2c(F)cc(C)cn2c1C(=O)CCc1ccc(N2CCN=CN2)c(F)c1.CCc1nc2cc(F)c(Cl)cn2c1C(=O)NCc1ccc(N2CCN=CN2)c(F)c1.CCc1nc2nc(C)c(Cl)cn2c1C(=O)CCc1ccc(N2CCN=CN2)c(F)c1.CCc1nc2nc(Cl)c(F)cn2c1C(=O)CCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.CCc1nc2nc(OCc3ccccc3)c(F)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.CCc1nc2ncc(C)cn2c1C(=O)NCc1ccc(N2CCN=CN2)c(F)c1.O=C(NCc1ccc(N2CCN=CN2)c(F)c1)c1c(C(F)(F)F)nc2ccccn12
InChIInChI=1S/C27H24F5N7O4S.C22H23F2N5O.C21H18ClF5N6O3S.C21H22ClFN6O.C21H19F5N6O4S.C20H19ClF2N6O.C20H22FN7O.C19H16F4N6O/c1-2-21-23(38-14-20(29)25(36-26(38)35-21)43-15-17-6-4-3-5-7-17)24(40)33-13-18-8-9-22(19(28)12-18)39-11-10-37(16-34-39)44(41,42)27(30,31)32;1-3-18-21(28-12-14(2)10-17(24)22(28)27-18)20(30)7-5-15-4-6-19(16(23)11-15)29-9-8-25-13-26-29;1-2-15-18(32-10-14(24)19(22)30-20(32)29-15)17(34)6-4-12-3-5-16(13(23)9-12)33-8-7-31(11-28-33)37(35,36)21(25,26)27;1-3-17-20(28-11-15(22)13(2)26-21(28)27-17)19(30)7-5-14-4-6-18(16(23)10-14)29-9-8-24-12-25-29;1-2-15-18(31-10-14(23)19(34)29-20(31)28-15)17(33)6-4-12-3-5-16(13(22)9-12)32-8-7-30(11-27-32)37(35,36)21(24,25)26;1-2-16-19(28-10-13(21)14(22)8-18(28)27-16)20(30)25-9-12-3-4-17(15(23)7-12)29-6-5-24-11-26-29;1-3-16-18(27-11-13(2)9-24-20(27)26-16)19(29)23-10-14-4-5-17(15(21)8-14)28-7-6-22-12-25-28;20-13-9-12(4-5-14(13)29-8-6-24-11-26-29)10-25-18(30)16-17(19(21,22)23)27-15-3-1-2-7-28(15)16/h3-9,12,14,16H,2,10-11,13,15H2,1H3,(H,33,40);4,6,10-13H,3,5,7-9H2,1-2H3,(H,25,26);3,5,9-11H,2,4,6-8H2,1H3;4,6,10-12H,3,5,7-9H2,1-2H3,(H,24,25);3,5,9-11H,2,4,6-8H2,1H3,(H,28,29,34);3-4,7-8,10-11H,2,5-6,9H2,1H3,(H,24,26)(H,25,30);4-5,8-9,11-12H,3,6-7,10H2,1-2H3,(H,22,25)(H,23,29);1-5,7,9,11H,6,8,10H2,(H,24,26)(H,25,30)
InChIKeyHRTFVDKFFUPVFS-UHFFFAOYSA-N
MW3838.02 g/mol
LogP25.66
Rot. Bonds49

About 6-chloro-N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]methyl]-2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxamide;1-(7-chloro-2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;1-(6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]propan-1-one;3-[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]-1-(2-ethyl-8-fluoro-6-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one;N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]methyl]-2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide;2-ethyl-6-fluoro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-phenylmethoxyimidazo[1,2-a]pyrimidine-3-carboxamide;2-ethyl-6-fluoro-3-[3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propanoyl]-8H-imidazo[1,2-a]pyrimidin-7-one

6-chloro-N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]methyl]-2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxamide;1-(7-chloro-2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;1-(6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]propan-1-one;3-[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]-1-(2-ethyl-8-fluoro-6-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one;N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]methyl]-2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide;2-ethyl-6-fluoro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-phenylmethoxyimidazo[1,2-a]pyrimidine-3-carboxamide;2-ethyl-6-fluoro-3-[3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propanoyl]-8H-imidazo[1,2-a]pyrimidin-7-one (PubChem CID 167585113) has the molecular formula C171H163Cl3F25N49O16S3 and a molecular weight of 3838.02 g/mol. Its IUPAC name is 6-chloro-N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]methyl]-2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxamide;1-(7-chloro-2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;1-(6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]propan-1-one;3-[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]-1-(2-ethyl-8-fluoro-6-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one;N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]methyl]-2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide;2-ethyl-6-fluoro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-phenylmethoxyimidazo[1,2-a]pyrimidine-3-carboxamide;2-ethyl-6-fluoro-3-[3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propanoyl]-8H-imidazo[1,2-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-chloro-N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]methyl]-2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxamide;1-(7-chloro-2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;1-(6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]propan-1-one;3-[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]-1-(2-ethyl-8-fluoro-6-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one;N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]methyl]-2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide;2-ethyl-6-fluoro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-phenylmethoxyimidazo[1,2-a]pyrimidine-3-carboxamide;2-ethyl-6-fluoro-3-[3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propanoyl]-8H-imidazo[1,2-a]pyrimidin-7-one
PubChem CID167585113
Molecular FormulaC171H163Cl3F25N49O16S3
Molecular Weight3838.02 g/mol
Exact Mass3834.13
IUPAC Name6-chloro-N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]methyl]-2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxamide;1-(7-chloro-2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;1-(6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]propan-1-one;3-[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]-1-(2-ethyl-8-fluoro-6-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one;N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]methyl]-2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide;2-ethyl-6-fluoro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-phenylmethoxyimidazo[1,2-a]pyrimidine-3-carboxamide;2-ethyl-6-fluoro-3-[3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propanoyl]-8H-imidazo[1,2-a]pyrimidin-7-one
SMILESCCc1nc2[nH]c(=O)c(F)cn2c1C(=O)CCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.CCc1nc2c(F)cc(C)cn2c1C(=O)CCc1ccc(N2CCN=CN2)c(F)c1.CCc1nc2cc(F)c(Cl)cn2c1C(=O)NCc1ccc(N2CCN=CN2)c(F)c1.CCc1nc2nc(C)c(Cl)cn2c1C(=O)CCc1ccc(N2CCN=CN2)c(F)c1.CCc1nc2nc(Cl)c(F)cn2c1C(=O)CCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.CCc1nc2nc(OCc3ccccc3)c(F)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.CCc1nc2ncc(C)cn2c1C(=O)NCc1ccc(N2CCN=CN2)c(F)c1.O=C(NCc1ccc(N2CCN=CN2)c(F)c1)c1c(C(F)(F)F)nc2ccccn12
InChIInChI=1S/C27H24F5N7O4S.C22H23F2N5O.C21H18ClF5N6O3S.C21H22ClFN6O.C21H19F5N6O4S.C20H19ClF2N6O.C20H22FN7O.C19H16F4N6O/c1-2-21-23(38-14-20(29)25(36-26(38)35-21)43-15-17-6-4-3-5-7-17)24(40)33-13-18-8-9-22(19(28)12-18)39-11-10-37(16-34-39)44(41,42)27(30,31)32;1-3-18-21(28-12-14(2)10-17(24)22(28)27-18)20(30)7-5-15-4-6-19(16(23)11-15)29-9-8-25-13-26-29;1-2-15-18(32-10-14(24)19(22)30-20(32)29-15)17(34)6-4-12-3-5-16(13(23)9-12)33-8-7-31(11-28-33)37(35,36)21(25,26)27;1-3-17-20(28-11-15(22)13(2)26-21(28)27-17)19(30)7-5-14-4-6-18(16(23)10-14)29-9-8-24-12-25-29;1-2-15-18(31-10-14(23)19(34)29-20(31)28-15)17(33)6-4-12-3-5-16(13(22)9-12)32-8-7-30(11-27-32)37(35,36)21(24,25)26;1-2-16-19(28-10-13(21)14(22)8-18(28)27-16)20(30)25-9-12-3-4-17(15(23)7-12)29-6-5-24-11-26-29;1-3-16-18(27-11-13(2)9-24-20(27)26-16)19(29)23-10-14-4-5-17(15(21)8-14)28-7-6-22-12-25-28;20-13-9-12(4-5-14(13)29-8-6-24-11-26-29)10-25-18(30)16-17(19(21,22)23)27-15-3-1-2-7-28(15)16/h3-9,12,14,16H,2,10-11,13,15H2,1H3,(H,33,40);4,6,10-13H,3,5,7-9H2,1-2H3,(H,25,26);3,5,9-11H,2,4,6-8H2,1H3;4,6,10-12H,3,5,7-9H2,1-2H3,(H,24,25);3,5,9-11H,2,4,6-8H2,1H3,(H,28,29,34);3-4,7-8,10-11H,2,5-6,9H2,1H3,(H,24,26)(H,25,30);4-5,8-9,11-12H,3,6-7,10H2,1-2H3,(H,22,25)(H,23,29);1-5,7,9,11H,6,8,10H2,(H,24,26)(H,25,30)
InChIKeyHRTFVDKFFUPVFS-UHFFFAOYSA-N
XLogP25.66
TPSA713.82 Ų
H-Bond Donors10
H-Bond Acceptors57
Rotatable Bonds49
Heavy Atoms267
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003838.02
LogP ≤ 525.66
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1057

Analyze 6-chloro-N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]methyl]-2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxamide;1-(7-chloro-2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;1-(6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]propan-1-one;3-[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]-1-(2-ethyl-8-fluoro-6-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one;N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]methyl]-2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide;2-ethyl-6-fluoro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-phenylmethoxyimidazo[1,2-a]pyrimidine-3-carboxamide;2-ethyl-6-fluoro-3-[3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propanoyl]-8H-imidazo[1,2-a]pyrimidin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]methyl]-2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxamide;1-(7-chloro-2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;1-(6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]propan-1-one;3-[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]-1-(2-ethyl-8-fluoro-6-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one;N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]methyl]-2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide;2-ethyl-6-fluoro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-phenylmethoxyimidazo[1,2-a]pyrimidine-3-carboxamide;2-ethyl-6-fluoro-3-[3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propanoyl]-8H-imidazo[1,2-a]pyrimidin-7-one?
The IUPAC name of 6-chloro-N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]methyl]-2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxamide;1-(7-chloro-2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;1-(6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]propan-1-one;3-[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]-1-(2-ethyl-8-fluoro-6-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one;N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]methyl]-2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide;2-ethyl-6-fluoro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-phenylmethoxyimidazo[1,2-a]pyrimidine-3-carboxamide;2-ethyl-6-fluoro-3-[3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propanoyl]-8H-imidazo[1,2-a]pyrimidin-7-one (CID 167585113) is 6-chloro-N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]methyl]-2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxamide;1-(7-chloro-2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;1-(6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]propan-1-one;3-[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]-1-(2-ethyl-8-fluoro-6-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one;N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]methyl]-2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide;2-ethyl-6-fluoro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-phenylmethoxyimidazo[1,2-a]pyrimidine-3-carboxamide;2-ethyl-6-fluoro-3-[3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propanoyl]-8H-imidazo[1,2-a]pyrimidin-7-one.
What is the SMILES notation for 6-chloro-N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]methyl]-2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxamide;1-(7-chloro-2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;1-(6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]propan-1-one;3-[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]-1-(2-ethyl-8-fluoro-6-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one;N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]methyl]-2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide;2-ethyl-6-fluoro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-phenylmethoxyimidazo[1,2-a]pyrimidine-3-carboxamide;2-ethyl-6-fluoro-3-[3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propanoyl]-8H-imidazo[1,2-a]pyrimidin-7-one?
The canonical SMILES for 6-chloro-N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]methyl]-2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxamide;1-(7-chloro-2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;1-(6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]propan-1-one;3-[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]-1-(2-ethyl-8-fluoro-6-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one;N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]methyl]-2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide;2-ethyl-6-fluoro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-phenylmethoxyimidazo[1,2-a]pyrimidine-3-carboxamide;2-ethyl-6-fluoro-3-[3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propanoyl]-8H-imidazo[1,2-a]pyrimidin-7-one is CCc1nc2[nH]c(=O)c(F)cn2c1C(=O)CCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.CCc1nc2c(F)cc(C)cn2c1C(=O)CCc1ccc(N2CCN=CN2)c(F)c1.CCc1nc2cc(F)c(Cl)cn2c1C(=O)NCc1ccc(N2CCN=CN2)c(F)c1.CCc1nc2nc(C)c(Cl)cn2c1C(=O)CCc1ccc(N2CCN=CN2)c(F)c1.CCc1nc2nc(Cl)c(F)cn2c1C(=O)CCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.CCc1nc2nc(OCc3ccccc3)c(F)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.CCc1nc2ncc(C)cn2c1C(=O)NCc1ccc(N2CCN=CN2)c(F)c1.O=C(NCc1ccc(N2CCN=CN2)c(F)c1)c1c(C(F)(F)F)nc2ccccn12.
What is the InChIKey of 6-chloro-N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]methyl]-2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxamide;1-(7-chloro-2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;1-(6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]propan-1-one;3-[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]-1-(2-ethyl-8-fluoro-6-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one;N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]methyl]-2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide;2-ethyl-6-fluoro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-phenylmethoxyimidazo[1,2-a]pyrimidine-3-carboxamide;2-ethyl-6-fluoro-3-[3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propanoyl]-8H-imidazo[1,2-a]pyrimidin-7-one?
The InChIKey is HRTFVDKFFUPVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F5N7O4S.C22H23F2N5O.C21H18ClF5N6O3S.C21H22ClFN6O.C21H19F5N6O4S.C20H19ClF2N6O.C20H22FN7O.C19H16F4N6O/c1-2-21-23(38-14-20(29)25(36-26(38)35-21)43-15-17-6-4-3-5-7-17)24(40)33-13-18-8-9-22(19(28)12-18)39-11-10-37(16-34-39)44(41,42)27(30,31)32;1-3-18-21(28-12-14(2)10-17(24)22(28)27-18)20(30)7-5-15-4-6-19(16(23)11-15)29-9-8-25-13-26-29;1-2-15-18(32-10-14(24)19(22)30-20(32)29-15)17(34)6-4-12-3-5-16(13(23)9-12)33-8-7-31(11-28-33)37(35,36)21(25,26)27;1-3-17-20(28-11-15(22)13(2)26-21(28)27-17)19(30)7-5-14-4-6-18(16(23)10-14)29-9-8-24-12-25-29;1-2-15-18(31-10-14(23)19(34)29-20(31)28-15)17(33)6-4-12-3-5-16(13(22)9-12)32-8-7-30(11-27-32)37(35,36)21(24,25)26;1-2-16-19(28-10-13(21)14(22)8-18(28)27-16)20(30)25-9-12-3-4-17(15(23)7-12)29-6-5-24-11-26-29;1-3-16-18(27-11-13(2)9-24-20(27)26-16)19(29)23-10-14-4-5-17(15(21)8-14)28-7-6-22-12-25-28;20-13-9-12(4-5-14(13)29-8-6-24-11-26-29)10-25-18(30)16-17(19(21,22)23)27-15-3-1-2-7-28(15)16/h3-9,12,14,16H,2,10-11,13,15H2,1H3,(H,33,40);4,6,10-13H,3,5,7-9H2,1-2H3,(H,25,26);3,5,9-11H,2,4,6-8H2,1H3;4,6,10-12H,3,5,7-9H2,1-2H3,(H,24,25);3,5,9-11H,2,4,6-8H2,1H3,(H,28,29,34);3-4,7-8,10-11H,2,5-6,9H2,1H3,(H,24,26)(H,25,30);4-5,8-9,11-12H,3,6-7,10H2,1-2H3,(H,22,25)(H,23,29);1-5,7,9,11H,6,8,10H2,(H,24,26)(H,25,30).
What are the key properties of 6-chloro-N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]methyl]-2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxamide;1-(7-chloro-2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;1-(6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]propan-1-one;3-[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]-1-(2-ethyl-8-fluoro-6-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one;N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]methyl]-2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide;2-ethyl-6-fluoro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-phenylmethoxyimidazo[1,2-a]pyrimidine-3-carboxamide;2-ethyl-6-fluoro-3-[3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propanoyl]-8H-imidazo[1,2-a]pyrimidin-7-one?
6-chloro-N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]methyl]-2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxamide;1-(7-chloro-2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;1-(6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]propan-1-one;3-[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]-1-(2-ethyl-8-fluoro-6-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one;N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]methyl]-2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide;2-ethyl-6-fluoro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-phenylmethoxyimidazo[1,2-a]pyrimidine-3-carboxamide;2-ethyl-6-fluoro-3-[3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propanoyl]-8H-imidazo[1,2-a]pyrimidin-7-one has a molecular weight of 3838.02 g/mol, XLogP of 25.66, 49 rotatable bonds, 10 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]methyl]-2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxamide;1-(7-chloro-2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;1-(6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]propan-1-one;3-[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]-1-(2-ethyl-8-fluoro-6-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one;N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]methyl]-2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3-fluorophenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide;2-ethyl-6-fluoro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-phenylmethoxyimidazo[1,2-a]pyrimidine-3-carboxamide;2-ethyl-6-fluoro-3-[3-[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propanoyl]-8H-imidazo[1,2-a]pyrimidin-7-one is sourced from PubChem (CID 167585113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).