4-[(2,6-dimethyl-3-pyridinyl)methyl]-N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-[(2,6-dimethyl-3-pyridinyl)methyl]-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-[(2-fluoro-3-pyridinyl)methyl]-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[5-methyl-7-[2-(oxetan-3-yl)ethynyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide;N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;bis(N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[(2-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide);N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide;N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide

C274H250F8N40O46S2 — CID 167666226

IUPAC4-[(2,6-dimethyl-3-pyridinyl)methyl]-N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-[(2,6-dimethyl-3-pyridinyl)methyl]-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-[(2-fluoro-3-pyridinyl)methyl]-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[5-methyl-7-[2-(oxetan-3-yl)ethynyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide;N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;bis(N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[(2-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide);N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide;N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide
SMILESCN1C(=O)C(NC(=O)c2cc(Cc3ccc(C(F)(F)F)nc3)ccn2)COc2ccc(C#CC(C)(C)O)cc21.CN1C(=O)C(NC(=O)c2cc(Cc3ccc(C(F)(F)F)nc3)ccn2)COc2ccc(C#CC3(O)COC3)cc21.CN1C(=O)C(NC(=O)c2cc(Cc3cccc(F)n3)ccn2)COc2ccc(C#CC3COC3)cc21.CN1C(=O)C(NC(=O)c2cc(Cc3cccnc3F)ccn2)COc2ccc(C#CC3(O)COC3)cc21.CN1C(=O)C(NC(=O)c2cc(Cc3cscn3)ccn2)COc2ccc(C#CC(C)(C)O)cc21.CN1C(=O)C(NC(=O)c2cc(Cc3cscn3)ccn2)COc2ccc(C#CC3(O)COC3)cc21.Cc1ccc(Cc2ccnc(C(=O)NC3COc4ccc(C#CC(C)(C)O)cc4N(C)C3=O)c2)c(C)n1.Cc1ccc(Cc2ccnc(C(=O)NC3COc4ccc(C#CC5(O)COC5)cc4N(C)C3=O)c2)c(C)n1.Cc1ncccc1Cc1ccnc(C(=O)NC2COc3ccc(C#CC4(O)COC4)cc3N(C)C2=O)c1.Cc1ncccc1Cc1ccnc(C(=O)NC2COc3ccc(C#CC4(O)COC4)cc3N(C)C2=O)c1
InChIInChI=1S/C29H28N4O5.C29H30N4O4.C28H23F3N4O5.C28H25F3N4O4.2C28H26N4O5.C27H23FN4O5.C27H23FN4O4.C25H22N4O5S.C25H24N4O4S/c1-18-4-6-22(19(2)31-18)12-21-9-11-30-23(13-21)27(34)32-24-15-38-26-7-5-20(8-10-29(36)16-37-17-29)14-25(26)33(3)28(24)35;1-18-6-8-22(19(2)31-18)14-21-11-13-30-23(15-21)27(34)32-24-17-37-26-9-7-20(10-12-29(3,4)36)16-25(26)33(5)28(24)35;1-35-22-12-17(6-8-27(38)15-39-16-27)2-4-23(22)40-14-21(26(35)37)34-25(36)20-11-18(7-9-32-20)10-19-3-5-24(33-13-19)28(29,30)31;1-27(2,38)10-8-17-4-6-23-22(14-17)35(3)26(37)21(16-39-23)34-25(36)20-13-18(9-11-32-20)12-19-5-7-24(33-15-19)28(29,30)31;2*1-18-21(4-3-10-29-18)12-20-8-11-30-22(13-20)26(33)31-23-15-37-25-6-5-19(7-9-28(35)16-36-17-28)14-24(25)32(2)27(23)34;1-32-22-13-17(6-8-27(35)15-36-16-27)4-5-23(22)37-14-21(26(32)34)31-25(33)20-12-18(7-10-29-20)11-19-3-2-9-30-24(19)28;1-32-23-13-17(5-6-19-14-35-15-19)7-8-24(23)36-16-22(27(32)34)31-26(33)21-12-18(9-10-29-21)11-20-3-2-4-25(28)30-20;1-29-21-10-16(4-6-25(32)13-33-14-25)2-3-22(21)34-11-20(24(29)31)28-23(30)19-9-17(5-7-26-19)8-18-12-35-15-27-18;1-25(2,32)8-6-16-4-5-22-21(12-16)29(3)24(31)20(13-33-22)28-23(30)19-11-17(7-9-26-19)10-18-14-34-15-27-18/h4-7,9,11,13-14,24,36H,12,15-17H2,1-3H3,(H,32,34);6-9,11,13,15-16,24,36H,14,17H2,1-5H3,(H,32,34);2-5,7,9,11-13,21,38H,10,14-16H2,1H3,(H,34,36);4-7,9,11,13-15,21,38H,12,16H2,1-3H3,(H,34,36);2*3-6,8,10-11,13-14,23,35H,12,15-17H2,1-2H3,(H,31,33);2-5,7,9-10,12-13,21,35H,11,14-16H2,1H3,(H,31,33);2-4,7-10,12-13,19,22H,11,14-16H2,1H3,(H,31,33);2-3,5,7,9-10,12,15,20,32H,8,11,13-14H2,1H3,(H,28,30);4-5,7,9,11-12,14-15,20,32H,10,13H2,1-3H3,(H,28,30)
InChIKeySRKBNSDQTOVJBY-UHFFFAOYSA-N
MW5055.37 g/mol
LogP21.54
Rot. Bonds40

About 4-[(2,6-dimethyl-3-pyridinyl)methyl]-N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-[(2,6-dimethyl-3-pyridinyl)methyl]-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-[(2-fluoro-3-pyridinyl)methyl]-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[5-methyl-7-[2-(oxetan-3-yl)ethynyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide;N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;bis(N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[(2-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide);N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide;N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide

4-[(2,6-dimethyl-3-pyridinyl)methyl]-N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-[(2,6-dimethyl-3-pyridinyl)methyl]-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-[(2-fluoro-3-pyridinyl)methyl]-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[5-methyl-7-[2-(oxetan-3-yl)ethynyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide;N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;bis(N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[(2-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide);N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide;N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide (PubChem CID 167666226) has the molecular formula C274H250F8N40O46S2 and a molecular weight of 5055.37 g/mol. Its IUPAC name is 4-[(2,6-dimethyl-3-pyridinyl)methyl]-N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-[(2,6-dimethyl-3-pyridinyl)methyl]-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-[(2-fluoro-3-pyridinyl)methyl]-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[5-methyl-7-[2-(oxetan-3-yl)ethynyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide;N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;bis(N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[(2-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide);N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide;N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(2,6-dimethyl-3-pyridinyl)methyl]-N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-[(2,6-dimethyl-3-pyridinyl)methyl]-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-[(2-fluoro-3-pyridinyl)methyl]-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[5-methyl-7-[2-(oxetan-3-yl)ethynyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide;N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;bis(N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[(2-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide);N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide;N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide
PubChem CID167666226
Molecular FormulaC274H250F8N40O46S2
Molecular Weight5055.37 g/mol
Exact Mass5051.78
IUPAC Name4-[(2,6-dimethyl-3-pyridinyl)methyl]-N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-[(2,6-dimethyl-3-pyridinyl)methyl]-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-[(2-fluoro-3-pyridinyl)methyl]-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[5-methyl-7-[2-(oxetan-3-yl)ethynyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide;N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;bis(N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[(2-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide);N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide;N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide
SMILESCN1C(=O)C(NC(=O)c2cc(Cc3ccc(C(F)(F)F)nc3)ccn2)COc2ccc(C#CC(C)(C)O)cc21.CN1C(=O)C(NC(=O)c2cc(Cc3ccc(C(F)(F)F)nc3)ccn2)COc2ccc(C#CC3(O)COC3)cc21.CN1C(=O)C(NC(=O)c2cc(Cc3cccc(F)n3)ccn2)COc2ccc(C#CC3COC3)cc21.CN1C(=O)C(NC(=O)c2cc(Cc3cccnc3F)ccn2)COc2ccc(C#CC3(O)COC3)cc21.CN1C(=O)C(NC(=O)c2cc(Cc3cscn3)ccn2)COc2ccc(C#CC(C)(C)O)cc21.CN1C(=O)C(NC(=O)c2cc(Cc3cscn3)ccn2)COc2ccc(C#CC3(O)COC3)cc21.Cc1ccc(Cc2ccnc(C(=O)NC3COc4ccc(C#CC(C)(C)O)cc4N(C)C3=O)c2)c(C)n1.Cc1ccc(Cc2ccnc(C(=O)NC3COc4ccc(C#CC5(O)COC5)cc4N(C)C3=O)c2)c(C)n1.Cc1ncccc1Cc1ccnc(C(=O)NC2COc3ccc(C#CC4(O)COC4)cc3N(C)C2=O)c1.Cc1ncccc1Cc1ccnc(C(=O)NC2COc3ccc(C#CC4(O)COC4)cc3N(C)C2=O)c1
InChIInChI=1S/C29H28N4O5.C29H30N4O4.C28H23F3N4O5.C28H25F3N4O4.2C28H26N4O5.C27H23FN4O5.C27H23FN4O4.C25H22N4O5S.C25H24N4O4S/c1-18-4-6-22(19(2)31-18)12-21-9-11-30-23(13-21)27(34)32-24-15-38-26-7-5-20(8-10-29(36)16-37-17-29)14-25(26)33(3)28(24)35;1-18-6-8-22(19(2)31-18)14-21-11-13-30-23(15-21)27(34)32-24-17-37-26-9-7-20(10-12-29(3,4)36)16-25(26)33(5)28(24)35;1-35-22-12-17(6-8-27(38)15-39-16-27)2-4-23(22)40-14-21(26(35)37)34-25(36)20-11-18(7-9-32-20)10-19-3-5-24(33-13-19)28(29,30)31;1-27(2,38)10-8-17-4-6-23-22(14-17)35(3)26(37)21(16-39-23)34-25(36)20-13-18(9-11-32-20)12-19-5-7-24(33-15-19)28(29,30)31;2*1-18-21(4-3-10-29-18)12-20-8-11-30-22(13-20)26(33)31-23-15-37-25-6-5-19(7-9-28(35)16-36-17-28)14-24(25)32(2)27(23)34;1-32-22-13-17(6-8-27(35)15-36-16-27)4-5-23(22)37-14-21(26(32)34)31-25(33)20-12-18(7-10-29-20)11-19-3-2-9-30-24(19)28;1-32-23-13-17(5-6-19-14-35-15-19)7-8-24(23)36-16-22(27(32)34)31-26(33)21-12-18(9-10-29-21)11-20-3-2-4-25(28)30-20;1-29-21-10-16(4-6-25(32)13-33-14-25)2-3-22(21)34-11-20(24(29)31)28-23(30)19-9-17(5-7-26-19)8-18-12-35-15-27-18;1-25(2,32)8-6-16-4-5-22-21(12-16)29(3)24(31)20(13-33-22)28-23(30)19-11-17(7-9-26-19)10-18-14-34-15-27-18/h4-7,9,11,13-14,24,36H,12,15-17H2,1-3H3,(H,32,34);6-9,11,13,15-16,24,36H,14,17H2,1-5H3,(H,32,34);2-5,7,9,11-13,21,38H,10,14-16H2,1H3,(H,34,36);4-7,9,11,13-15,21,38H,12,16H2,1-3H3,(H,34,36);2*3-6,8,10-11,13-14,23,35H,12,15-17H2,1-2H3,(H,31,33);2-5,7,9-10,12-13,21,35H,11,14-16H2,1H3,(H,31,33);2-4,7-10,12-13,19,22H,11,14-16H2,1H3,(H,31,33);2-3,5,7,9-10,12,15,20,32H,8,11,13-14H2,1H3,(H,28,30);4-5,7,9,11-12,14-15,20,32H,10,13H2,1-3H3,(H,28,30)
InChIKeySRKBNSDQTOVJBY-UHFFFAOYSA-N
XLogP21.54
TPSA1090.88 Ų
H-Bond Donors19
H-Bond Acceptors68
Rotatable Bonds40
Heavy Atoms370
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005055.37
LogP ≤ 521.54
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1068

Analyze 4-[(2,6-dimethyl-3-pyridinyl)methyl]-N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-[(2,6-dimethyl-3-pyridinyl)methyl]-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-[(2-fluoro-3-pyridinyl)methyl]-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[5-methyl-7-[2-(oxetan-3-yl)ethynyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide;N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;bis(N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[(2-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide);N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide;N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethyl-3-pyridinyl)methyl]-N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-[(2,6-dimethyl-3-pyridinyl)methyl]-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-[(2-fluoro-3-pyridinyl)methyl]-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[5-methyl-7-[2-(oxetan-3-yl)ethynyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide;N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;bis(N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[(2-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide);N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide;N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide?
The IUPAC name of 4-[(2,6-dimethyl-3-pyridinyl)methyl]-N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-[(2,6-dimethyl-3-pyridinyl)methyl]-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-[(2-fluoro-3-pyridinyl)methyl]-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[5-methyl-7-[2-(oxetan-3-yl)ethynyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide;N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;bis(N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[(2-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide);N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide;N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide (CID 167666226) is 4-[(2,6-dimethyl-3-pyridinyl)methyl]-N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-[(2,6-dimethyl-3-pyridinyl)methyl]-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-[(2-fluoro-3-pyridinyl)methyl]-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[5-methyl-7-[2-(oxetan-3-yl)ethynyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide;N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;bis(N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[(2-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide);N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide;N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[(2,6-dimethyl-3-pyridinyl)methyl]-N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-[(2,6-dimethyl-3-pyridinyl)methyl]-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-[(2-fluoro-3-pyridinyl)methyl]-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[5-methyl-7-[2-(oxetan-3-yl)ethynyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide;N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;bis(N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[(2-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide);N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide;N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[(2,6-dimethyl-3-pyridinyl)methyl]-N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-[(2,6-dimethyl-3-pyridinyl)methyl]-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-[(2-fluoro-3-pyridinyl)methyl]-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[5-methyl-7-[2-(oxetan-3-yl)ethynyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide;N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;bis(N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[(2-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide);N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide;N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide is CN1C(=O)C(NC(=O)c2cc(Cc3ccc(C(F)(F)F)nc3)ccn2)COc2ccc(C#CC(C)(C)O)cc21.CN1C(=O)C(NC(=O)c2cc(Cc3ccc(C(F)(F)F)nc3)ccn2)COc2ccc(C#CC3(O)COC3)cc21.CN1C(=O)C(NC(=O)c2cc(Cc3cccc(F)n3)ccn2)COc2ccc(C#CC3COC3)cc21.CN1C(=O)C(NC(=O)c2cc(Cc3cccnc3F)ccn2)COc2ccc(C#CC3(O)COC3)cc21.CN1C(=O)C(NC(=O)c2cc(Cc3cscn3)ccn2)COc2ccc(C#CC(C)(C)O)cc21.CN1C(=O)C(NC(=O)c2cc(Cc3cscn3)ccn2)COc2ccc(C#CC3(O)COC3)cc21.Cc1ccc(Cc2ccnc(C(=O)NC3COc4ccc(C#CC(C)(C)O)cc4N(C)C3=O)c2)c(C)n1.Cc1ccc(Cc2ccnc(C(=O)NC3COc4ccc(C#CC5(O)COC5)cc4N(C)C3=O)c2)c(C)n1.Cc1ncccc1Cc1ccnc(C(=O)NC2COc3ccc(C#CC4(O)COC4)cc3N(C)C2=O)c1.Cc1ncccc1Cc1ccnc(C(=O)NC2COc3ccc(C#CC4(O)COC4)cc3N(C)C2=O)c1.
What is the InChIKey of 4-[(2,6-dimethyl-3-pyridinyl)methyl]-N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-[(2,6-dimethyl-3-pyridinyl)methyl]-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-[(2-fluoro-3-pyridinyl)methyl]-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[5-methyl-7-[2-(oxetan-3-yl)ethynyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide;N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;bis(N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[(2-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide);N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide;N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide?
The InChIKey is SRKBNSDQTOVJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O5.C29H30N4O4.C28H23F3N4O5.C28H25F3N4O4.2C28H26N4O5.C27H23FN4O5.C27H23FN4O4.C25H22N4O5S.C25H24N4O4S/c1-18-4-6-22(19(2)31-18)12-21-9-11-30-23(13-21)27(34)32-24-15-38-26-7-5-20(8-10-29(36)16-37-17-29)14-25(26)33(3)28(24)35;1-18-6-8-22(19(2)31-18)14-21-11-13-30-23(15-21)27(34)32-24-17-37-26-9-7-20(10-12-29(3,4)36)16-25(26)33(5)28(24)35;1-35-22-12-17(6-8-27(38)15-39-16-27)2-4-23(22)40-14-21(26(35)37)34-25(36)20-11-18(7-9-32-20)10-19-3-5-24(33-13-19)28(29,30)31;1-27(2,38)10-8-17-4-6-23-22(14-17)35(3)26(37)21(16-39-23)34-25(36)20-13-18(9-11-32-20)12-19-5-7-24(33-15-19)28(29,30)31;2*1-18-21(4-3-10-29-18)12-20-8-11-30-22(13-20)26(33)31-23-15-37-25-6-5-19(7-9-28(35)16-36-17-28)14-24(25)32(2)27(23)34;1-32-22-13-17(6-8-27(35)15-36-16-27)4-5-23(22)37-14-21(26(32)34)31-25(33)20-12-18(7-10-29-20)11-19-3-2-9-30-24(19)28;1-32-23-13-17(5-6-19-14-35-15-19)7-8-24(23)36-16-22(27(32)34)31-26(33)21-12-18(9-10-29-21)11-20-3-2-4-25(28)30-20;1-29-21-10-16(4-6-25(32)13-33-14-25)2-3-22(21)34-11-20(24(29)31)28-23(30)19-9-17(5-7-26-19)8-18-12-35-15-27-18;1-25(2,32)8-6-16-4-5-22-21(12-16)29(3)24(31)20(13-33-22)28-23(30)19-11-17(7-9-26-19)10-18-14-34-15-27-18/h4-7,9,11,13-14,24,36H,12,15-17H2,1-3H3,(H,32,34);6-9,11,13,15-16,24,36H,14,17H2,1-5H3,(H,32,34);2-5,7,9,11-13,21,38H,10,14-16H2,1H3,(H,34,36);4-7,9,11,13-15,21,38H,12,16H2,1-3H3,(H,34,36);2*3-6,8,10-11,13-14,23,35H,12,15-17H2,1-2H3,(H,31,33);2-5,7,9-10,12-13,21,35H,11,14-16H2,1H3,(H,31,33);2-4,7-10,12-13,19,22H,11,14-16H2,1H3,(H,31,33);2-3,5,7,9-10,12,15,20,32H,8,11,13-14H2,1H3,(H,28,30);4-5,7,9,11-12,14-15,20,32H,10,13H2,1-3H3,(H,28,30).
What are the key properties of 4-[(2,6-dimethyl-3-pyridinyl)methyl]-N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-[(2,6-dimethyl-3-pyridinyl)methyl]-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-[(2-fluoro-3-pyridinyl)methyl]-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[5-methyl-7-[2-(oxetan-3-yl)ethynyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide;N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;bis(N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[(2-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide);N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide;N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide?
4-[(2,6-dimethyl-3-pyridinyl)methyl]-N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-[(2,6-dimethyl-3-pyridinyl)methyl]-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-[(2-fluoro-3-pyridinyl)methyl]-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[5-methyl-7-[2-(oxetan-3-yl)ethynyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide;N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;bis(N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[(2-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide);N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide;N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide has a molecular weight of 5055.37 g/mol, XLogP of 21.54, 40 rotatable bonds, 19 hydrogen bond donors, and 68 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethyl-3-pyridinyl)methyl]-N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-[(2,6-dimethyl-3-pyridinyl)methyl]-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-[(2-fluoro-3-pyridinyl)methyl]-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[5-methyl-7-[2-(oxetan-3-yl)ethynyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide;N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;bis(N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[(2-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide);N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide;N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 167666226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).