2-bromo-5-fluoropyridine-4-carboxylic acid;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;4-bromo-3-(trifluoromethyl)benzoic acid;3-[(11S)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N,1-dimethylpyrazole-5-carboxamide;3-[(11R)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N,1-dimethylpyrazole-5-carboxamide;3-[12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N,1-dimethylpyrazole-5-carboxamide;N,1-dimethyl-3-[11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]pyrazole-5-carboxamide;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-[(2-bromo-5-fluoropyridine-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate;methyl 3-[(5-fluoro-2-methylpyridine-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate;bis(2-methyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-3-yl]-5-[4-(2-methylpropyl)pyrazol-1-yl]pyridine-4-carboxamide);1-methyl-3-[[2-methyl-5-[4-(2-methylpropyl)pyrazol-1-yl]pyridine-4-carbonyl]amino]pyrazole-5-carboxylic acid;2-methyl-1-[1-(oxan-2-yl)pyrazol-4-yl]propan-1-ol;2-methylpropanal;bis(4-(2-methylpropyl)-1H-pyrazole);2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane

C252H300B3Br8F15N70O37 — CID 165057567

IUPAC2-bromo-5-fluoropyridine-4-carboxylic acid;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;4-bromo-3-(trifluoromethyl)benzoic acid;3-[(11S)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N,1-dimethylpyrazole-5-carboxamide;3-[(11R)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N,1-dimethylpyrazole-5-carboxamide;3-[12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N,1-dimethylpyrazole-5-carboxamide;N,1-dimethyl-3-[11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]pyrazole-5-carboxamide;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-[(2-bromo-5-fluoropyridine-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate;methyl 3-[(5-fluoro-2-methylpyridine-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate;bis(2-methyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-3-yl]-5-[4-(2-methylpropyl)pyrazol-1-yl]pyridine-4-carboxamide);1-methyl-3-[[2-methyl-5-[4-(2-methylpropyl)pyrazol-1-yl]pyridine-4-carbonyl]amino]pyrazole-5-carboxylic acid;2-methyl-1-[1-(oxan-2-yl)pyrazol-4-yl]propan-1-ol;2-methylpropanal;bis(4-(2-methylpropyl)-1H-pyrazole);2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane
SMILESBrc1cn[nH]c1.Brc1cnn(C2CCCCO2)c1.CB1OB(C)OB(C)O1.CC(C)C(O)c1cnn(C2CCCCO2)c1.CC(C)C=O.CC(C)Cc1cn[nH]c1.CC(C)Cc1cn[nH]c1.CNC(=O)c1cc(-n2c(=O)c3c(n4ncc(CC(C)C)c24)CN(C(=O)c2ccc(Br)c(C(F)(F)F)c2)C(C)C3)nn1C.CNC(=O)c1cc(-n2c(=O)c3c(n4ncc(CC(C)C)c24)CN(C(=O)c2ccc(Br)c(C(F)(F)F)c2)[C@@H](C)C3)nn1C.CNC(=O)c1cc(-n2c(=O)c3c(n4ncc(CC(C)C)c24)CN(C(=O)c2ccc(Br)c(C(F)(F)F)c2)[C@H](C)C3)nn1C.CNC(=O)c1cc(-n2c(=O)c3c(n4ncc(CC(C)C)c24)CNC(C)C3)nn1C.CNC(=O)c1cc(NC(=O)c2cc(C)ncc2-n2cc(CC(C)C)cn2)nn1C.CNC(=O)c1cc(NC(=O)c2cc(C)ncc2-n2cc(CC(C)C)cn2)nn1C.COC(=O)c1cc(N)nn1C.COC(=O)c1cc(NC(=O)c2cc(Br)ncc2F)nn1C.COC(=O)c1cc(NC(=O)c2cc(C)ncc2F)nn1C.Cc1cc(C(=O)Nc2cc(C(=O)O)n(C)n2)c(-n2cc(CC(C)C)cn2)cn1.O=C(O)c1cc(Br)ncc1F.O=C(O)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/3C28H29BrF3N7O3.C20H27N7O2.2C20H25N7O2.C19H22N6O3.C13H13FN4O3.C12H10BrFN4O3.C12H20N2O2.C8H4BrF3O2.C8H11BrN2O.2C7H12N2.C6H3BrFNO2.C6H9N3O2.C4H8O.C3H9B3O3.C3H3BrN2/c3*1-14(2)8-17-12-34-39-22-13-37(26(41)16-6-7-20(29)19(10-16)28(30,31)32)15(3)9-18(22)27(42)38(25(17)39)23-11-21(24(40)33-4)36(5)35-23;1-11(2)6-13-9-23-27-16-10-22-12(3)7-14(16)20(29)26(19(13)27)17-8-15(18(28)21-4)25(5)24-17;2*1-12(2)6-14-9-23-27(11-14)17-10-22-13(3)7-15(17)19(28)24-18-8-16(20(29)21-4)26(5)25-18;1-11(2)5-13-8-21-25(10-13)16-9-20-12(3)6-14(16)18(26)22-17-7-15(19(27)28)24(4)23-17;1-7-4-8(9(14)6-15-7)12(19)16-11-5-10(13(20)21-3)18(2)17-11;1-18-8(12(20)21-2)4-10(17-18)16-11(19)6-3-9(13)15-5-7(6)14;1-9(2)12(15)10-7-13-14(8-10)11-5-3-4-6-16-11;9-6-2-1-4(7(13)14)3-5(6)8(10,11)12;9-7-5-10-11(6-7)8-3-1-2-4-12-8;2*1-6(2)3-7-4-8-9-5-7;7-5-1-3(6(10)11)4(8)2-9-5;1-9-4(6(10)11-2)3-5(7)8-9;1-4(2)3-5;1-4-7-5(2)9-6(3)8-4;4-3-1-5-6-2-3/h3*6-7,10-12,14-15H,8-9,13H2,1-5H3,(H,33,40);8-9,11-12,22H,6-7,10H2,1-5H3,(H,21,28);2*7-12H,6H2,1-5H3,(H,21,29)(H,24,25,28);6-11H,5H2,1-4H3,(H,27,28)(H,22,23,26);4-6H,1-3H3,(H,16,17,19);3-5H,1-2H3,(H,16,17,19);7-9,11-12,15H,3-6H2,1-2H3;1-3H,(H,13,14);5-6,8H,1-4H2;2*4-6H,3H2,1-2H3,(H,8,9);1-2H,(H,10,11);3H,1-2H3,(H2,7,8);3-4H,1-2H3;1-3H3;1-2H,(H,5,6)/t2*15-;;;;;;;;;;;;;;;;;/m10................./s1
InChIKeyQRECARPFFJVBQB-UNTGZEQOSA-N
MW5858.26 g/mol
LogP37.89
Rot. Bonds55

About 2-bromo-5-fluoropyridine-4-carboxylic acid;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;4-bromo-3-(trifluoromethyl)benzoic acid;3-[(11S)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N,1-dimethylpyrazole-5-carboxamide;3-[(11R)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N,1-dimethylpyrazole-5-carboxamide;3-[12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N,1-dimethylpyrazole-5-carboxamide;N,1-dimethyl-3-[11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]pyrazole-5-carboxamide;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-[(2-bromo-5-fluoropyridine-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate;methyl 3-[(5-fluoro-2-methylpyridine-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate;bis(2-methyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-3-yl]-5-[4-(2-methylpropyl)pyrazol-1-yl]pyridine-4-carboxamide);1-methyl-3-[[2-methyl-5-[4-(2-methylpropyl)pyrazol-1-yl]pyridine-4-carbonyl]amino]pyrazole-5-carboxylic acid;2-methyl-1-[1-(oxan-2-yl)pyrazol-4-yl]propan-1-ol;2-methylpropanal;bis(4-(2-methylpropyl)-1H-pyrazole);2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane

2-bromo-5-fluoropyridine-4-carboxylic acid;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;4-bromo-3-(trifluoromethyl)benzoic acid;3-[(11S)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N,1-dimethylpyrazole-5-carboxamide;3-[(11R)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N,1-dimethylpyrazole-5-carboxamide;3-[12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N,1-dimethylpyrazole-5-carboxamide;N,1-dimethyl-3-[11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]pyrazole-5-carboxamide;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-[(2-bromo-5-fluoropyridine-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate;methyl 3-[(5-fluoro-2-methylpyridine-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate;bis(2-methyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-3-yl]-5-[4-(2-methylpropyl)pyrazol-1-yl]pyridine-4-carboxamide);1-methyl-3-[[2-methyl-5-[4-(2-methylpropyl)pyrazol-1-yl]pyridine-4-carbonyl]amino]pyrazole-5-carboxylic acid;2-methyl-1-[1-(oxan-2-yl)pyrazol-4-yl]propan-1-ol;2-methylpropanal;bis(4-(2-methylpropyl)-1H-pyrazole);2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane (PubChem CID 165057567) has the molecular formula C252H300B3Br8F15N70O37 and a molecular weight of 5858.26 g/mol. Its IUPAC name is 2-bromo-5-fluoropyridine-4-carboxylic acid;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;4-bromo-3-(trifluoromethyl)benzoic acid;3-[(11S)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N,1-dimethylpyrazole-5-carboxamide;3-[(11R)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N,1-dimethylpyrazole-5-carboxamide;3-[12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N,1-dimethylpyrazole-5-carboxamide;N,1-dimethyl-3-[11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]pyrazole-5-carboxamide;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-[(2-bromo-5-fluoropyridine-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate;methyl 3-[(5-fluoro-2-methylpyridine-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate;bis(2-methyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-3-yl]-5-[4-(2-methylpropyl)pyrazol-1-yl]pyridine-4-carboxamide);1-methyl-3-[[2-methyl-5-[4-(2-methylpropyl)pyrazol-1-yl]pyridine-4-carbonyl]amino]pyrazole-5-carboxylic acid;2-methyl-1-[1-(oxan-2-yl)pyrazol-4-yl]propan-1-ol;2-methylpropanal;bis(4-(2-methylpropyl)-1H-pyrazole);2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane.

Molecular Properties

Compound Name2-bromo-5-fluoropyridine-4-carboxylic acid;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;4-bromo-3-(trifluoromethyl)benzoic acid;3-[(11S)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N,1-dimethylpyrazole-5-carboxamide;3-[(11R)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N,1-dimethylpyrazole-5-carboxamide;3-[12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N,1-dimethylpyrazole-5-carboxamide;N,1-dimethyl-3-[11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]pyrazole-5-carboxamide;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-[(2-bromo-5-fluoropyridine-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate;methyl 3-[(5-fluoro-2-methylpyridine-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate;bis(2-methyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-3-yl]-5-[4-(2-methylpropyl)pyrazol-1-yl]pyridine-4-carboxamide);1-methyl-3-[[2-methyl-5-[4-(2-methylpropyl)pyrazol-1-yl]pyridine-4-carbonyl]amino]pyrazole-5-carboxylic acid;2-methyl-1-[1-(oxan-2-yl)pyrazol-4-yl]propan-1-ol;2-methylpropanal;bis(4-(2-methylpropyl)-1H-pyrazole);2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane
PubChem CID165057567
Molecular FormulaC252H300B3Br8F15N70O37
Molecular Weight5858.26 g/mol
Exact Mass5847.73
IUPAC Name2-bromo-5-fluoropyridine-4-carboxylic acid;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;4-bromo-3-(trifluoromethyl)benzoic acid;3-[(11S)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N,1-dimethylpyrazole-5-carboxamide;3-[(11R)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N,1-dimethylpyrazole-5-carboxamide;3-[12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N,1-dimethylpyrazole-5-carboxamide;N,1-dimethyl-3-[11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]pyrazole-5-carboxamide;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-[(2-bromo-5-fluoropyridine-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate;methyl 3-[(5-fluoro-2-methylpyridine-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate;bis(2-methyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-3-yl]-5-[4-(2-methylpropyl)pyrazol-1-yl]pyridine-4-carboxamide);1-methyl-3-[[2-methyl-5-[4-(2-methylpropyl)pyrazol-1-yl]pyridine-4-carbonyl]amino]pyrazole-5-carboxylic acid;2-methyl-1-[1-(oxan-2-yl)pyrazol-4-yl]propan-1-ol;2-methylpropanal;bis(4-(2-methylpropyl)-1H-pyrazole);2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane
SMILESBrc1cn[nH]c1.Brc1cnn(C2CCCCO2)c1.CB1OB(C)OB(C)O1.CC(C)C(O)c1cnn(C2CCCCO2)c1.CC(C)C=O.CC(C)Cc1cn[nH]c1.CC(C)Cc1cn[nH]c1.CNC(=O)c1cc(-n2c(=O)c3c(n4ncc(CC(C)C)c24)CN(C(=O)c2ccc(Br)c(C(F)(F)F)c2)C(C)C3)nn1C.CNC(=O)c1cc(-n2c(=O)c3c(n4ncc(CC(C)C)c24)CN(C(=O)c2ccc(Br)c(C(F)(F)F)c2)[C@@H](C)C3)nn1C.CNC(=O)c1cc(-n2c(=O)c3c(n4ncc(CC(C)C)c24)CN(C(=O)c2ccc(Br)c(C(F)(F)F)c2)[C@H](C)C3)nn1C.CNC(=O)c1cc(-n2c(=O)c3c(n4ncc(CC(C)C)c24)CNC(C)C3)nn1C.CNC(=O)c1cc(NC(=O)c2cc(C)ncc2-n2cc(CC(C)C)cn2)nn1C.CNC(=O)c1cc(NC(=O)c2cc(C)ncc2-n2cc(CC(C)C)cn2)nn1C.COC(=O)c1cc(N)nn1C.COC(=O)c1cc(NC(=O)c2cc(Br)ncc2F)nn1C.COC(=O)c1cc(NC(=O)c2cc(C)ncc2F)nn1C.Cc1cc(C(=O)Nc2cc(C(=O)O)n(C)n2)c(-n2cc(CC(C)C)cn2)cn1.O=C(O)c1cc(Br)ncc1F.O=C(O)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/3C28H29BrF3N7O3.C20H27N7O2.2C20H25N7O2.C19H22N6O3.C13H13FN4O3.C12H10BrFN4O3.C12H20N2O2.C8H4BrF3O2.C8H11BrN2O.2C7H12N2.C6H3BrFNO2.C6H9N3O2.C4H8O.C3H9B3O3.C3H3BrN2/c3*1-14(2)8-17-12-34-39-22-13-37(26(41)16-6-7-20(29)19(10-16)28(30,31)32)15(3)9-18(22)27(42)38(25(17)39)23-11-21(24(40)33-4)36(5)35-23;1-11(2)6-13-9-23-27-16-10-22-12(3)7-14(16)20(29)26(19(13)27)17-8-15(18(28)21-4)25(5)24-17;2*1-12(2)6-14-9-23-27(11-14)17-10-22-13(3)7-15(17)19(28)24-18-8-16(20(29)21-4)26(5)25-18;1-11(2)5-13-8-21-25(10-13)16-9-20-12(3)6-14(16)18(26)22-17-7-15(19(27)28)24(4)23-17;1-7-4-8(9(14)6-15-7)12(19)16-11-5-10(13(20)21-3)18(2)17-11;1-18-8(12(20)21-2)4-10(17-18)16-11(19)6-3-9(13)15-5-7(6)14;1-9(2)12(15)10-7-13-14(8-10)11-5-3-4-6-16-11;9-6-2-1-4(7(13)14)3-5(6)8(10,11)12;9-7-5-10-11(6-7)8-3-1-2-4-12-8;2*1-6(2)3-7-4-8-9-5-7;7-5-1-3(6(10)11)4(8)2-9-5;1-9-4(6(10)11-2)3-5(7)8-9;1-4(2)3-5;1-4-7-5(2)9-6(3)8-4;4-3-1-5-6-2-3/h3*6-7,10-12,14-15H,8-9,13H2,1-5H3,(H,33,40);8-9,11-12,22H,6-7,10H2,1-5H3,(H,21,28);2*7-12H,6H2,1-5H3,(H,21,29)(H,24,25,28);6-11H,5H2,1-4H3,(H,27,28)(H,22,23,26);4-6H,1-3H3,(H,16,17,19);3-5H,1-2H3,(H,16,17,19);7-9,11-12,15H,3-6H2,1-2H3;1-3H,(H,13,14);5-6,8H,1-4H2;2*4-6H,3H2,1-2H3,(H,8,9);1-2H,(H,10,11);3H,1-2H3,(H2,7,8);3-4H,1-2H3;1-3H3;1-2H,(H,5,6)/t2*15-;;;;;;;;;;;;;;;;;/m10................./s1
InChIKeyQRECARPFFJVBQB-UNTGZEQOSA-N
XLogP37.89
TPSA1281.21 Ų
H-Bond Donors20
H-Bond Acceptors87
Rotatable Bonds55
Heavy Atoms385
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005858.26
LogP ≤ 537.89
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1087

Analyze 2-bromo-5-fluoropyridine-4-carboxylic acid;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;4-bromo-3-(trifluoromethyl)benzoic acid;3-[(11S)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N,1-dimethylpyrazole-5-carboxamide;3-[(11R)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N,1-dimethylpyrazole-5-carboxamide;3-[12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N,1-dimethylpyrazole-5-carboxamide;N,1-dimethyl-3-[11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]pyrazole-5-carboxamide;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-[(2-bromo-5-fluoropyridine-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate;methyl 3-[(5-fluoro-2-methylpyridine-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate;bis(2-methyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-3-yl]-5-[4-(2-methylpropyl)pyrazol-1-yl]pyridine-4-carboxamide);1-methyl-3-[[2-methyl-5-[4-(2-methylpropyl)pyrazol-1-yl]pyridine-4-carbonyl]amino]pyrazole-5-carboxylic acid;2-methyl-1-[1-(oxan-2-yl)pyrazol-4-yl]propan-1-ol;2-methylpropanal;bis(4-(2-methylpropyl)-1H-pyrazole);2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane with MolForge

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What is the IUPAC name of 2-bromo-5-fluoropyridine-4-carboxylic acid;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;4-bromo-3-(trifluoromethyl)benzoic acid;3-[(11S)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N,1-dimethylpyrazole-5-carboxamide;3-[(11R)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N,1-dimethylpyrazole-5-carboxamide;3-[12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N,1-dimethylpyrazole-5-carboxamide;N,1-dimethyl-3-[11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]pyrazole-5-carboxamide;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-[(2-bromo-5-fluoropyridine-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate;methyl 3-[(5-fluoro-2-methylpyridine-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate;bis(2-methyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-3-yl]-5-[4-(2-methylpropyl)pyrazol-1-yl]pyridine-4-carboxamide);1-methyl-3-[[2-methyl-5-[4-(2-methylpropyl)pyrazol-1-yl]pyridine-4-carbonyl]amino]pyrazole-5-carboxylic acid;2-methyl-1-[1-(oxan-2-yl)pyrazol-4-yl]propan-1-ol;2-methylpropanal;bis(4-(2-methylpropyl)-1H-pyrazole);2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane?
The IUPAC name of 2-bromo-5-fluoropyridine-4-carboxylic acid;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;4-bromo-3-(trifluoromethyl)benzoic acid;3-[(11S)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N,1-dimethylpyrazole-5-carboxamide;3-[(11R)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N,1-dimethylpyrazole-5-carboxamide;3-[12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N,1-dimethylpyrazole-5-carboxamide;N,1-dimethyl-3-[11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]pyrazole-5-carboxamide;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-[(2-bromo-5-fluoropyridine-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate;methyl 3-[(5-fluoro-2-methylpyridine-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate;bis(2-methyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-3-yl]-5-[4-(2-methylpropyl)pyrazol-1-yl]pyridine-4-carboxamide);1-methyl-3-[[2-methyl-5-[4-(2-methylpropyl)pyrazol-1-yl]pyridine-4-carbonyl]amino]pyrazole-5-carboxylic acid;2-methyl-1-[1-(oxan-2-yl)pyrazol-4-yl]propan-1-ol;2-methylpropanal;bis(4-(2-methylpropyl)-1H-pyrazole);2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane (CID 165057567) is 2-bromo-5-fluoropyridine-4-carboxylic acid;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;4-bromo-3-(trifluoromethyl)benzoic acid;3-[(11S)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N,1-dimethylpyrazole-5-carboxamide;3-[(11R)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N,1-dimethylpyrazole-5-carboxamide;3-[12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N,1-dimethylpyrazole-5-carboxamide;N,1-dimethyl-3-[11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]pyrazole-5-carboxamide;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-[(2-bromo-5-fluoropyridine-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate;methyl 3-[(5-fluoro-2-methylpyridine-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate;bis(2-methyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-3-yl]-5-[4-(2-methylpropyl)pyrazol-1-yl]pyridine-4-carboxamide);1-methyl-3-[[2-methyl-5-[4-(2-methylpropyl)pyrazol-1-yl]pyridine-4-carbonyl]amino]pyrazole-5-carboxylic acid;2-methyl-1-[1-(oxan-2-yl)pyrazol-4-yl]propan-1-ol;2-methylpropanal;bis(4-(2-methylpropyl)-1H-pyrazole);2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane.
What is the SMILES notation for 2-bromo-5-fluoropyridine-4-carboxylic acid;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;4-bromo-3-(trifluoromethyl)benzoic acid;3-[(11S)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N,1-dimethylpyrazole-5-carboxamide;3-[(11R)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N,1-dimethylpyrazole-5-carboxamide;3-[12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N,1-dimethylpyrazole-5-carboxamide;N,1-dimethyl-3-[11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]pyrazole-5-carboxamide;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-[(2-bromo-5-fluoropyridine-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate;methyl 3-[(5-fluoro-2-methylpyridine-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate;bis(2-methyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-3-yl]-5-[4-(2-methylpropyl)pyrazol-1-yl]pyridine-4-carboxamide);1-methyl-3-[[2-methyl-5-[4-(2-methylpropyl)pyrazol-1-yl]pyridine-4-carbonyl]amino]pyrazole-5-carboxylic acid;2-methyl-1-[1-(oxan-2-yl)pyrazol-4-yl]propan-1-ol;2-methylpropanal;bis(4-(2-methylpropyl)-1H-pyrazole);2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane?
The canonical SMILES for 2-bromo-5-fluoropyridine-4-carboxylic acid;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;4-bromo-3-(trifluoromethyl)benzoic acid;3-[(11S)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N,1-dimethylpyrazole-5-carboxamide;3-[(11R)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N,1-dimethylpyrazole-5-carboxamide;3-[12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N,1-dimethylpyrazole-5-carboxamide;N,1-dimethyl-3-[11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]pyrazole-5-carboxamide;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-[(2-bromo-5-fluoropyridine-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate;methyl 3-[(5-fluoro-2-methylpyridine-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate;bis(2-methyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-3-yl]-5-[4-(2-methylpropyl)pyrazol-1-yl]pyridine-4-carboxamide);1-methyl-3-[[2-methyl-5-[4-(2-methylpropyl)pyrazol-1-yl]pyridine-4-carbonyl]amino]pyrazole-5-carboxylic acid;2-methyl-1-[1-(oxan-2-yl)pyrazol-4-yl]propan-1-ol;2-methylpropanal;bis(4-(2-methylpropyl)-1H-pyrazole);2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane is Brc1cn[nH]c1.Brc1cnn(C2CCCCO2)c1.CB1OB(C)OB(C)O1.CC(C)C(O)c1cnn(C2CCCCO2)c1.CC(C)C=O.CC(C)Cc1cn[nH]c1.CC(C)Cc1cn[nH]c1.CNC(=O)c1cc(-n2c(=O)c3c(n4ncc(CC(C)C)c24)CN(C(=O)c2ccc(Br)c(C(F)(F)F)c2)C(C)C3)nn1C.CNC(=O)c1cc(-n2c(=O)c3c(n4ncc(CC(C)C)c24)CN(C(=O)c2ccc(Br)c(C(F)(F)F)c2)[C@@H](C)C3)nn1C.CNC(=O)c1cc(-n2c(=O)c3c(n4ncc(CC(C)C)c24)CN(C(=O)c2ccc(Br)c(C(F)(F)F)c2)[C@H](C)C3)nn1C.CNC(=O)c1cc(-n2c(=O)c3c(n4ncc(CC(C)C)c24)CNC(C)C3)nn1C.CNC(=O)c1cc(NC(=O)c2cc(C)ncc2-n2cc(CC(C)C)cn2)nn1C.CNC(=O)c1cc(NC(=O)c2cc(C)ncc2-n2cc(CC(C)C)cn2)nn1C.COC(=O)c1cc(N)nn1C.COC(=O)c1cc(NC(=O)c2cc(Br)ncc2F)nn1C.COC(=O)c1cc(NC(=O)c2cc(C)ncc2F)nn1C.Cc1cc(C(=O)Nc2cc(C(=O)O)n(C)n2)c(-n2cc(CC(C)C)cn2)cn1.O=C(O)c1cc(Br)ncc1F.O=C(O)c1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of 2-bromo-5-fluoropyridine-4-carboxylic acid;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;4-bromo-3-(trifluoromethyl)benzoic acid;3-[(11S)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N,1-dimethylpyrazole-5-carboxamide;3-[(11R)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N,1-dimethylpyrazole-5-carboxamide;3-[12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N,1-dimethylpyrazole-5-carboxamide;N,1-dimethyl-3-[11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]pyrazole-5-carboxamide;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-[(2-bromo-5-fluoropyridine-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate;methyl 3-[(5-fluoro-2-methylpyridine-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate;bis(2-methyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-3-yl]-5-[4-(2-methylpropyl)pyrazol-1-yl]pyridine-4-carboxamide);1-methyl-3-[[2-methyl-5-[4-(2-methylpropyl)pyrazol-1-yl]pyridine-4-carbonyl]amino]pyrazole-5-carboxylic acid;2-methyl-1-[1-(oxan-2-yl)pyrazol-4-yl]propan-1-ol;2-methylpropanal;bis(4-(2-methylpropyl)-1H-pyrazole);2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane?
The InChIKey is QRECARPFFJVBQB-UNTGZEQOSA-N. The full InChI is InChI=1S/3C28H29BrF3N7O3.C20H27N7O2.2C20H25N7O2.C19H22N6O3.C13H13FN4O3.C12H10BrFN4O3.C12H20N2O2.C8H4BrF3O2.C8H11BrN2O.2C7H12N2.C6H3BrFNO2.C6H9N3O2.C4H8O.C3H9B3O3.C3H3BrN2/c3*1-14(2)8-17-12-34-39-22-13-37(26(41)16-6-7-20(29)19(10-16)28(30,31)32)15(3)9-18(22)27(42)38(25(17)39)23-11-21(24(40)33-4)36(5)35-23;1-11(2)6-13-9-23-27-16-10-22-12(3)7-14(16)20(29)26(19(13)27)17-8-15(18(28)21-4)25(5)24-17;2*1-12(2)6-14-9-23-27(11-14)17-10-22-13(3)7-15(17)19(28)24-18-8-16(20(29)21-4)26(5)25-18;1-11(2)5-13-8-21-25(10-13)16-9-20-12(3)6-14(16)18(26)22-17-7-15(19(27)28)24(4)23-17;1-7-4-8(9(14)6-15-7)12(19)16-11-5-10(13(20)21-3)18(2)17-11;1-18-8(12(20)21-2)4-10(17-18)16-11(19)6-3-9(13)15-5-7(6)14;1-9(2)12(15)10-7-13-14(8-10)11-5-3-4-6-16-11;9-6-2-1-4(7(13)14)3-5(6)8(10,11)12;9-7-5-10-11(6-7)8-3-1-2-4-12-8;2*1-6(2)3-7-4-8-9-5-7;7-5-1-3(6(10)11)4(8)2-9-5;1-9-4(6(10)11-2)3-5(7)8-9;1-4(2)3-5;1-4-7-5(2)9-6(3)8-4;4-3-1-5-6-2-3/h3*6-7,10-12,14-15H,8-9,13H2,1-5H3,(H,33,40);8-9,11-12,22H,6-7,10H2,1-5H3,(H,21,28);2*7-12H,6H2,1-5H3,(H,21,29)(H,24,25,28);6-11H,5H2,1-4H3,(H,27,28)(H,22,23,26);4-6H,1-3H3,(H,16,17,19);3-5H,1-2H3,(H,16,17,19);7-9,11-12,15H,3-6H2,1-2H3;1-3H,(H,13,14);5-6,8H,1-4H2;2*4-6H,3H2,1-2H3,(H,8,9);1-2H,(H,10,11);3H,1-2H3,(H2,7,8);3-4H,1-2H3;1-3H3;1-2H,(H,5,6)/t2*15-;;;;;;;;;;;;;;;;;/m10................./s1.
What are the key properties of 2-bromo-5-fluoropyridine-4-carboxylic acid;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;4-bromo-3-(trifluoromethyl)benzoic acid;3-[(11S)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N,1-dimethylpyrazole-5-carboxamide;3-[(11R)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N,1-dimethylpyrazole-5-carboxamide;3-[12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N,1-dimethylpyrazole-5-carboxamide;N,1-dimethyl-3-[11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]pyrazole-5-carboxamide;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-[(2-bromo-5-fluoropyridine-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate;methyl 3-[(5-fluoro-2-methylpyridine-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate;bis(2-methyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-3-yl]-5-[4-(2-methylpropyl)pyrazol-1-yl]pyridine-4-carboxamide);1-methyl-3-[[2-methyl-5-[4-(2-methylpropyl)pyrazol-1-yl]pyridine-4-carbonyl]amino]pyrazole-5-carboxylic acid;2-methyl-1-[1-(oxan-2-yl)pyrazol-4-yl]propan-1-ol;2-methylpropanal;bis(4-(2-methylpropyl)-1H-pyrazole);2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane?
2-bromo-5-fluoropyridine-4-carboxylic acid;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;4-bromo-3-(trifluoromethyl)benzoic acid;3-[(11S)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N,1-dimethylpyrazole-5-carboxamide;3-[(11R)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N,1-dimethylpyrazole-5-carboxamide;3-[12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N,1-dimethylpyrazole-5-carboxamide;N,1-dimethyl-3-[11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]pyrazole-5-carboxamide;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-[(2-bromo-5-fluoropyridine-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate;methyl 3-[(5-fluoro-2-methylpyridine-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate;bis(2-methyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-3-yl]-5-[4-(2-methylpropyl)pyrazol-1-yl]pyridine-4-carboxamide);1-methyl-3-[[2-methyl-5-[4-(2-methylpropyl)pyrazol-1-yl]pyridine-4-carbonyl]amino]pyrazole-5-carboxylic acid;2-methyl-1-[1-(oxan-2-yl)pyrazol-4-yl]propan-1-ol;2-methylpropanal;bis(4-(2-methylpropyl)-1H-pyrazole);2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane has a molecular weight of 5858.26 g/mol, XLogP of 37.89, 55 rotatable bonds, 20 hydrogen bond donors, and 87 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoropyridine-4-carboxylic acid;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;4-bromo-3-(trifluoromethyl)benzoic acid;3-[(11S)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N,1-dimethylpyrazole-5-carboxamide;3-[(11R)-12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N,1-dimethylpyrazole-5-carboxamide;3-[12-[4-bromo-3-(trifluoromethyl)benzoyl]-11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N,1-dimethylpyrazole-5-carboxamide;N,1-dimethyl-3-[11-methyl-5-(2-methylpropyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]pyrazole-5-carboxamide;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-[(2-bromo-5-fluoropyridine-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate;methyl 3-[(5-fluoro-2-methylpyridine-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate;bis(2-methyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-3-yl]-5-[4-(2-methylpropyl)pyrazol-1-yl]pyridine-4-carboxamide);1-methyl-3-[[2-methyl-5-[4-(2-methylpropyl)pyrazol-1-yl]pyridine-4-carbonyl]amino]pyrazole-5-carboxylic acid;2-methyl-1-[1-(oxan-2-yl)pyrazol-4-yl]propan-1-ol;2-methylpropanal;bis(4-(2-methylpropyl)-1H-pyrazole);2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane is sourced from PubChem (CID 165057567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).