N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-fluoro-2-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-fluoro-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-2-ylmethyl)pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-3-ylmethyl)pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide;N-[(3S)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide

C195H186Br8F5N47O19 — CID 159685504

IUPACN-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-fluoro-2-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-fluoro-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-2-ylmethyl)pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-3-ylmethyl)pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide;N-[(3S)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide
SMILESCN1C(=O)[C@@H](NC(=O)n2cc(Cc3ccc(F)nc3)cn2)CCc2ccc(Br)cc21.CN1C(=O)[C@@H](NC(=O)n2cc(Cc3cccc(C(F)(F)F)n3)cn2)CCc2ccc(Br)cc21.CN1C(=O)[C@@H](NC(=O)n2cc(Cc3cccc(F)n3)cn2)CCc2ccc(Br)cc21.CN1C(=O)[C@@H](NC(=O)n2cc(Cc3ccccn3)cn2)CCc2ccc(Br)cc21.CN1C(=O)[C@@H](NC(=O)n2cc(Cc3cccnc3)cn2)CCc2ccc(Br)cc21.CN1C(=O)[C@@H](NC(=O)n2cc(Cc3cccnn3)cn2)CCc2ccc(Br)cc21.CN1C(=O)[C@@H](NC(=O)n2cc(Cc3cccnn3)cn2)CCc2ccc(C#CC(C)(C)O)cc21.Cc1ccc(Cc2cnn(C(=O)N[C@H]3CCc4ccc(Br)cc4N(C)C3=O)c2)cn1.Cc1cccc(Cc2cnn(C(=O)N[C@H]3CCc4ccc(Br)cc4N(C)C3=O)c2)n1
InChIInChI=1S/C25H26N6O3.C22H19BrF3N5O2.2C22H22BrN5O2.2C21H19BrFN5O2.2C21H20BrN5O2.C20H19BrN6O2/c1-25(2,34)11-10-17-6-7-19-8-9-21(23(32)30(3)22(19)14-17)28-24(33)31-16-18(15-27-31)13-20-5-4-12-26-29-20;1-30-18-10-15(23)7-5-14(18)6-8-17(20(30)32)29-21(33)31-12-13(11-27-31)9-16-3-2-4-19(28-16)22(24,25)26;1-14-3-4-15(11-24-14)9-16-12-25-28(13-16)22(30)26-19-8-6-17-5-7-18(23)10-20(17)27(2)21(19)29;1-14-4-3-5-18(25-14)10-15-12-24-28(13-15)22(30)26-19-9-7-16-6-8-17(23)11-20(16)27(2)21(19)29;1-27-18-9-16(22)5-3-15(18)4-6-17(20(27)29)26-21(30)28-12-14(11-25-28)8-13-2-7-19(23)24-10-13;1-27-18-10-15(22)7-5-14(18)6-8-17(20(27)29)26-21(30)28-12-13(11-24-28)9-16-3-2-4-19(23)25-16;1-26-19-10-17(22)6-4-16(19)5-7-18(20(26)28)25-21(29)27-13-15(12-24-27)9-14-3-2-8-23-11-14;1-26-19-11-16(22)7-5-15(19)6-8-18(20(26)28)25-21(29)27-13-14(12-24-27)10-17-4-2-3-9-23-17;1-26-18-10-15(21)6-4-14(18)5-7-17(19(26)28)24-20(29)27-12-13(11-23-27)9-16-3-2-8-22-25-16/h4-7,12,14-16,21,34H,8-9,13H2,1-3H3,(H,28,33);2-5,7,10-12,17H,6,8-9H2,1H3,(H,29,33);3-5,7,10-13,19H,6,8-9H2,1-2H3,(H,26,30);3-6,8,11-13,19H,7,9-10H2,1-2H3,(H,26,30);2-3,5,7,9-12,17H,4,6,8H2,1H3,(H,26,30);2-5,7,10-12,17H,6,8-9H2,1H3,(H,26,30);2-4,6,8,10-13,18H,5,7,9H2,1H3,(H,25,29);2-5,7,9,11-13,18H,6,8,10H2,1H3,(H,25,29);2-4,6,8,10-12,17H,5,7,9H2,1H3,(H,24,29)/t21-;17-;2*19-;2*17-;2*18-;17-/m000000000/s1
InChIKeyMVSYYCAAADTFIZ-REYHFFMOSA-N
MW4226.16 g/mol
LogP28.57
Rot. Bonds27

About N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-fluoro-2-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-fluoro-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-2-ylmethyl)pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-3-ylmethyl)pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide;N-[(3S)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide

N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-fluoro-2-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-fluoro-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-2-ylmethyl)pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-3-ylmethyl)pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide;N-[(3S)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide (PubChem CID 159685504) has the molecular formula C195H186Br8F5N47O19 and a molecular weight of 4226.16 g/mol. Its IUPAC name is N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-fluoro-2-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-fluoro-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-2-ylmethyl)pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-3-ylmethyl)pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide;N-[(3S)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-fluoro-2-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-fluoro-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-2-ylmethyl)pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-3-ylmethyl)pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide;N-[(3S)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide
PubChem CID159685504
Molecular FormulaC195H186Br8F5N47O19
Molecular Weight4226.16 g/mol
Exact Mass4215.84
IUPAC NameN-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-fluoro-2-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-fluoro-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-2-ylmethyl)pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-3-ylmethyl)pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide;N-[(3S)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide
SMILESCN1C(=O)[C@@H](NC(=O)n2cc(Cc3ccc(F)nc3)cn2)CCc2ccc(Br)cc21.CN1C(=O)[C@@H](NC(=O)n2cc(Cc3cccc(C(F)(F)F)n3)cn2)CCc2ccc(Br)cc21.CN1C(=O)[C@@H](NC(=O)n2cc(Cc3cccc(F)n3)cn2)CCc2ccc(Br)cc21.CN1C(=O)[C@@H](NC(=O)n2cc(Cc3ccccn3)cn2)CCc2ccc(Br)cc21.CN1C(=O)[C@@H](NC(=O)n2cc(Cc3cccnc3)cn2)CCc2ccc(Br)cc21.CN1C(=O)[C@@H](NC(=O)n2cc(Cc3cccnn3)cn2)CCc2ccc(Br)cc21.CN1C(=O)[C@@H](NC(=O)n2cc(Cc3cccnn3)cn2)CCc2ccc(C#CC(C)(C)O)cc21.Cc1ccc(Cc2cnn(C(=O)N[C@H]3CCc4ccc(Br)cc4N(C)C3=O)c2)cn1.Cc1cccc(Cc2cnn(C(=O)N[C@H]3CCc4ccc(Br)cc4N(C)C3=O)c2)n1
InChIInChI=1S/C25H26N6O3.C22H19BrF3N5O2.2C22H22BrN5O2.2C21H19BrFN5O2.2C21H20BrN5O2.C20H19BrN6O2/c1-25(2,34)11-10-17-6-7-19-8-9-21(23(32)30(3)22(19)14-17)28-24(33)31-16-18(15-27-31)13-20-5-4-12-26-29-20;1-30-18-10-15(23)7-5-14(18)6-8-17(20(30)32)29-21(33)31-12-13(11-27-31)9-16-3-2-4-19(28-16)22(24,25)26;1-14-3-4-15(11-24-14)9-16-12-25-28(13-16)22(30)26-19-8-6-17-5-7-18(23)10-20(17)27(2)21(19)29;1-14-4-3-5-18(25-14)10-15-12-24-28(13-15)22(30)26-19-9-7-16-6-8-17(23)11-20(16)27(2)21(19)29;1-27-18-9-16(22)5-3-15(18)4-6-17(20(27)29)26-21(30)28-12-14(11-25-28)8-13-2-7-19(23)24-10-13;1-27-18-10-15(22)7-5-14(18)6-8-17(20(27)29)26-21(30)28-12-13(11-24-28)9-16-3-2-4-19(23)25-16;1-26-19-10-17(22)6-4-16(19)5-7-18(20(26)28)25-21(29)27-13-15(12-24-27)9-14-3-2-8-23-11-14;1-26-19-11-16(22)7-5-15(19)6-8-18(20(26)28)25-21(29)27-13-14(12-24-27)10-17-4-2-3-9-23-17;1-26-18-10-15(21)6-4-14(18)5-7-17(19(26)28)24-20(29)27-12-13(11-23-27)9-16-3-2-8-22-25-16/h4-7,12,14-16,21,34H,8-9,13H2,1-3H3,(H,28,33);2-5,7,10-12,17H,6,8-9H2,1H3,(H,29,33);3-5,7,10-13,19H,6,8-9H2,1-2H3,(H,26,30);3-6,8,11-13,19H,7,9-10H2,1-2H3,(H,26,30);2-3,5,7,9-12,17H,4,6,8H2,1H3,(H,26,30);2-5,7,10-12,17H,6,8-9H2,1H3,(H,26,30);2-4,6,8,10-13,18H,5,7,9H2,1H3,(H,25,29);2-5,7,9,11-13,18H,6,8,10H2,1H3,(H,25,29);2-4,6,8,10-12,17H,5,7,9H2,1H3,(H,24,29)/t21-;17-;2*19-;2*17-;2*18-;17-/m000000000/s1
InChIKeyMVSYYCAAADTFIZ-REYHFFMOSA-N
XLogP28.57
TPSA767.09 Ų
H-Bond Donors10
H-Bond Acceptors48
Rotatable Bonds27
Heavy Atoms274
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004226.16
LogP ≤ 528.57
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1048

Analyze N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-fluoro-2-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-fluoro-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-2-ylmethyl)pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-3-ylmethyl)pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide;N-[(3S)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide with MolForge

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What is the IUPAC name of N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-fluoro-2-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-fluoro-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-2-ylmethyl)pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-3-ylmethyl)pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide;N-[(3S)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide?
The IUPAC name of N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-fluoro-2-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-fluoro-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-2-ylmethyl)pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-3-ylmethyl)pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide;N-[(3S)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide (CID 159685504) is N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-fluoro-2-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-fluoro-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-2-ylmethyl)pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-3-ylmethyl)pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide;N-[(3S)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide.
What is the SMILES notation for N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-fluoro-2-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-fluoro-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-2-ylmethyl)pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-3-ylmethyl)pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide;N-[(3S)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide?
The canonical SMILES for N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-fluoro-2-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-fluoro-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-2-ylmethyl)pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-3-ylmethyl)pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide;N-[(3S)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide is CN1C(=O)[C@@H](NC(=O)n2cc(Cc3ccc(F)nc3)cn2)CCc2ccc(Br)cc21.CN1C(=O)[C@@H](NC(=O)n2cc(Cc3cccc(C(F)(F)F)n3)cn2)CCc2ccc(Br)cc21.CN1C(=O)[C@@H](NC(=O)n2cc(Cc3cccc(F)n3)cn2)CCc2ccc(Br)cc21.CN1C(=O)[C@@H](NC(=O)n2cc(Cc3ccccn3)cn2)CCc2ccc(Br)cc21.CN1C(=O)[C@@H](NC(=O)n2cc(Cc3cccnc3)cn2)CCc2ccc(Br)cc21.CN1C(=O)[C@@H](NC(=O)n2cc(Cc3cccnn3)cn2)CCc2ccc(Br)cc21.CN1C(=O)[C@@H](NC(=O)n2cc(Cc3cccnn3)cn2)CCc2ccc(C#CC(C)(C)O)cc21.Cc1ccc(Cc2cnn(C(=O)N[C@H]3CCc4ccc(Br)cc4N(C)C3=O)c2)cn1.Cc1cccc(Cc2cnn(C(=O)N[C@H]3CCc4ccc(Br)cc4N(C)C3=O)c2)n1.
What is the InChIKey of N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-fluoro-2-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-fluoro-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-2-ylmethyl)pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-3-ylmethyl)pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide;N-[(3S)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide?
The InChIKey is MVSYYCAAADTFIZ-REYHFFMOSA-N. The full InChI is InChI=1S/C25H26N6O3.C22H19BrF3N5O2.2C22H22BrN5O2.2C21H19BrFN5O2.2C21H20BrN5O2.C20H19BrN6O2/c1-25(2,34)11-10-17-6-7-19-8-9-21(23(32)30(3)22(19)14-17)28-24(33)31-16-18(15-27-31)13-20-5-4-12-26-29-20;1-30-18-10-15(23)7-5-14(18)6-8-17(20(30)32)29-21(33)31-12-13(11-27-31)9-16-3-2-4-19(28-16)22(24,25)26;1-14-3-4-15(11-24-14)9-16-12-25-28(13-16)22(30)26-19-8-6-17-5-7-18(23)10-20(17)27(2)21(19)29;1-14-4-3-5-18(25-14)10-15-12-24-28(13-15)22(30)26-19-9-7-16-6-8-17(23)11-20(16)27(2)21(19)29;1-27-18-9-16(22)5-3-15(18)4-6-17(20(27)29)26-21(30)28-12-14(11-25-28)8-13-2-7-19(23)24-10-13;1-27-18-10-15(22)7-5-14(18)6-8-17(20(27)29)26-21(30)28-12-13(11-24-28)9-16-3-2-4-19(23)25-16;1-26-19-10-17(22)6-4-16(19)5-7-18(20(26)28)25-21(29)27-13-15(12-24-27)9-14-3-2-8-23-11-14;1-26-19-11-16(22)7-5-15(19)6-8-18(20(26)28)25-21(29)27-13-14(12-24-27)10-17-4-2-3-9-23-17;1-26-18-10-15(21)6-4-14(18)5-7-17(19(26)28)24-20(29)27-12-13(11-23-27)9-16-3-2-8-22-25-16/h4-7,12,14-16,21,34H,8-9,13H2,1-3H3,(H,28,33);2-5,7,10-12,17H,6,8-9H2,1H3,(H,29,33);3-5,7,10-13,19H,6,8-9H2,1-2H3,(H,26,30);3-6,8,11-13,19H,7,9-10H2,1-2H3,(H,26,30);2-3,5,7,9-12,17H,4,6,8H2,1H3,(H,26,30);2-5,7,10-12,17H,6,8-9H2,1H3,(H,26,30);2-4,6,8,10-13,18H,5,7,9H2,1H3,(H,25,29);2-5,7,9,11-13,18H,6,8,10H2,1H3,(H,25,29);2-4,6,8,10-12,17H,5,7,9H2,1H3,(H,24,29)/t21-;17-;2*19-;2*17-;2*18-;17-/m000000000/s1.
What are the key properties of N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-fluoro-2-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-fluoro-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-2-ylmethyl)pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-3-ylmethyl)pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide;N-[(3S)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide?
N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-fluoro-2-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-fluoro-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-2-ylmethyl)pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-3-ylmethyl)pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide;N-[(3S)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide has a molecular weight of 4226.16 g/mol, XLogP of 28.57, 27 rotatable bonds, 10 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-fluoro-2-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-fluoro-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-2-ylmethyl)pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-3-ylmethyl)pyrazole-1-carboxamide;N-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide;N-[(3S)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide is sourced from PubChem (CID 159685504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).