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;1-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-3-[(Z)-2-methanimidoyl-3-(6-methyl-3-pyridinyl)prop-1-enyl]urea;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-(pyridazin-3-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;4-[(2-fluoro-3-pyridinyl)methyl]-N-[(3S)-8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyridine-2-carboxamide

C177H167Br7F6N40O18 — CID 167682463

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;1-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-3-[(Z)-2-methanimidoyl-3-(6-methyl-3-pyridinyl)prop-1-enyl]urea;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-(pyridazin-3-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;4-[(2-fluoro-3-pyridinyl)methyl]-N-[(3S)-8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyridine-2-carboxamide
SMILESCN1C(=O)[C@@H](NC(=O)c2cc(Cc3cccnc3F)ccn2)CCc2ccc(C#CC3(O)COC3)cc21.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(Cc3cccnc3)cn2)CCc2ccc(Br)cc21.CN1C(=O)[C@@H](NC(=O)n2cc(Cc3cccnn3)cn2)CCc2ccc(Br)cc21.Cc1cccc(Cc2cnn(C(=O)N[C@H]3CCc4ccc(Br)cc4N(C)C3=O)c2)n1.[H]/N=C/C(=C\NC(=O)N[C@H]1CCc2ccc(Br)cc2N(C)C1=O)Cc1ccc(C)nc1
InChIInChI=1S/C28H25FN4O4.C22H19BrF3N5O2.C22H22BrN5O2.C22H24BrN5O2.2C21H19BrFN5O2.C21H20BrN5O2.C20H19BrN6O2/c1-33-24-15-18(8-10-28(36)16-37-17-28)4-5-20(24)6-7-22(27(33)35)32-26(34)23-14-19(9-12-30-23)13-21-3-2-11-31-25(21)29;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;1-14-4-3-5-18(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;1-14-3-4-15(12-25-14)9-16(11-24)13-26-22(30)27-19-8-6-17-5-7-18(23)10-20(17)28(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;1-26-18-10-15(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/h2-5,9,11-12,14-15,22,36H,6-7,13,16-17H2,1H3,(H,32,34);2-5,7,10-12,17H,6,8-9H2,1H3,(H,29,33);3-6,8,11-13,19H,7,9-10H2,1-2H3,(H,26,30);3-5,7,10-13,19,24H,6,8-9H2,1-2H3,(H2,26,27,30);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);2-4,6,8,10-12,17H,5,7,9H2,1H3,(H,24,29)/b;;;16-13-,24-11+;;;;/t22-;17-;2*19-;2*17-;18-;17-/m00000000/s1
InChIKeyVSSZGQRJWXNZNW-FVEJCIEZSA-N
MW3815.86 g/mol
LogP25.53
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;1-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-3-[(Z)-2-methanimidoyl-3-(6-methyl-3-pyridinyl)prop-1-enyl]urea;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-(pyridazin-3-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;4-[(2-fluoro-3-pyridinyl)methyl]-N-[(3S)-8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyridine-2-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;1-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-3-[(Z)-2-methanimidoyl-3-(6-methyl-3-pyridinyl)prop-1-enyl]urea;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-(pyridazin-3-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;4-[(2-fluoro-3-pyridinyl)methyl]-N-[(3S)-8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyridine-2-carboxamide (PubChem CID 167682463) has the molecular formula C177H167Br7F6N40O18 and a molecular weight of 3815.86 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;1-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-3-[(Z)-2-methanimidoyl-3-(6-methyl-3-pyridinyl)prop-1-enyl]urea;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-(pyridazin-3-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;4-[(2-fluoro-3-pyridinyl)methyl]-N-[(3S)-8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyridine-2-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;1-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-3-[(Z)-2-methanimidoyl-3-(6-methyl-3-pyridinyl)prop-1-enyl]urea;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-(pyridazin-3-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;4-[(2-fluoro-3-pyridinyl)methyl]-N-[(3S)-8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyridine-2-carboxamide
PubChem CID167682463
Molecular FormulaC177H167Br7F6N40O18
Molecular Weight3815.86 g/mol
Exact Mass3806.76
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;1-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-3-[(Z)-2-methanimidoyl-3-(6-methyl-3-pyridinyl)prop-1-enyl]urea;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-(pyridazin-3-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;4-[(2-fluoro-3-pyridinyl)methyl]-N-[(3S)-8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyridine-2-carboxamide
SMILESCN1C(=O)[C@@H](NC(=O)c2cc(Cc3cccnc3F)ccn2)CCc2ccc(C#CC3(O)COC3)cc21.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(Cc3cccnc3)cn2)CCc2ccc(Br)cc21.CN1C(=O)[C@@H](NC(=O)n2cc(Cc3cccnn3)cn2)CCc2ccc(Br)cc21.Cc1cccc(Cc2cnn(C(=O)N[C@H]3CCc4ccc(Br)cc4N(C)C3=O)c2)n1.[H]/N=C/C(=C\NC(=O)N[C@H]1CCc2ccc(Br)cc2N(C)C1=O)Cc1ccc(C)nc1
InChIInChI=1S/C28H25FN4O4.C22H19BrF3N5O2.C22H22BrN5O2.C22H24BrN5O2.2C21H19BrFN5O2.C21H20BrN5O2.C20H19BrN6O2/c1-33-24-15-18(8-10-28(36)16-37-17-28)4-5-20(24)6-7-22(27(33)35)32-26(34)23-14-19(9-12-30-23)13-21-3-2-11-31-25(21)29;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;1-14-4-3-5-18(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;1-14-3-4-15(12-25-14)9-16(11-24)13-26-22(30)27-19-8-6-17-5-7-18(23)10-20(17)28(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;1-26-18-10-15(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/h2-5,9,11-12,14-15,22,36H,6-7,13,16-17H2,1H3,(H,32,34);2-5,7,10-12,17H,6,8-9H2,1H3,(H,29,33);3-6,8,11-13,19H,7,9-10H2,1-2H3,(H,26,30);3-5,7,10-13,19,24H,6,8-9H2,1-2H3,(H2,26,27,30);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);2-4,6,8,10-12,17H,5,7,9H2,1H3,(H,24,29)/b;;;16-13-,24-11+;;;;/t22-;17-;2*19-;2*17-;18-;17-/m00000000/s1
InChIKeyVSSZGQRJWXNZNW-FVEJCIEZSA-N
XLogP25.53
TPSA696.44 Ų
H-Bond Donors11
H-Bond Acceptors41
Rotatable Bonds27
Heavy Atoms248
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003815.86
LogP ≤ 525.53
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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;1-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-3-[(Z)-2-methanimidoyl-3-(6-methyl-3-pyridinyl)prop-1-enyl]urea;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-(pyridazin-3-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;4-[(2-fluoro-3-pyridinyl)methyl]-N-[(3S)-8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

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;1-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-3-[(Z)-2-methanimidoyl-3-(6-methyl-3-pyridinyl)prop-1-enyl]urea;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-(pyridazin-3-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;4-[(2-fluoro-3-pyridinyl)methyl]-N-[(3S)-8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyridine-2-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;1-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-3-[(Z)-2-methanimidoyl-3-(6-methyl-3-pyridinyl)prop-1-enyl]urea;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-(pyridazin-3-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;4-[(2-fluoro-3-pyridinyl)methyl]-N-[(3S)-8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyridine-2-carboxamide (CID 167682463) 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;1-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-3-[(Z)-2-methanimidoyl-3-(6-methyl-3-pyridinyl)prop-1-enyl]urea;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-(pyridazin-3-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;4-[(2-fluoro-3-pyridinyl)methyl]-N-[(3S)-8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyridine-2-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;1-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-3-[(Z)-2-methanimidoyl-3-(6-methyl-3-pyridinyl)prop-1-enyl]urea;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-(pyridazin-3-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;4-[(2-fluoro-3-pyridinyl)methyl]-N-[(3S)-8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyridine-2-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;1-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-3-[(Z)-2-methanimidoyl-3-(6-methyl-3-pyridinyl)prop-1-enyl]urea;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-(pyridazin-3-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;4-[(2-fluoro-3-pyridinyl)methyl]-N-[(3S)-8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyridine-2-carboxamide is CN1C(=O)[C@@H](NC(=O)c2cc(Cc3cccnc3F)ccn2)CCc2ccc(C#CC3(O)COC3)cc21.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(Cc3cccnc3)cn2)CCc2ccc(Br)cc21.CN1C(=O)[C@@H](NC(=O)n2cc(Cc3cccnn3)cn2)CCc2ccc(Br)cc21.Cc1cccc(Cc2cnn(C(=O)N[C@H]3CCc4ccc(Br)cc4N(C)C3=O)c2)n1.[H]/N=C/C(=C\NC(=O)N[C@H]1CCc2ccc(Br)cc2N(C)C1=O)Cc1ccc(C)nc1.
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;1-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-3-[(Z)-2-methanimidoyl-3-(6-methyl-3-pyridinyl)prop-1-enyl]urea;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-(pyridazin-3-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;4-[(2-fluoro-3-pyridinyl)methyl]-N-[(3S)-8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyridine-2-carboxamide?
The InChIKey is VSSZGQRJWXNZNW-FVEJCIEZSA-N. The full InChI is InChI=1S/C28H25FN4O4.C22H19BrF3N5O2.C22H22BrN5O2.C22H24BrN5O2.2C21H19BrFN5O2.C21H20BrN5O2.C20H19BrN6O2/c1-33-24-15-18(8-10-28(36)16-37-17-28)4-5-20(24)6-7-22(27(33)35)32-26(34)23-14-19(9-12-30-23)13-21-3-2-11-31-25(21)29;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;1-14-4-3-5-18(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;1-14-3-4-15(12-25-14)9-16(11-24)13-26-22(30)27-19-8-6-17-5-7-18(23)10-20(17)28(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;1-26-18-10-15(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/h2-5,9,11-12,14-15,22,36H,6-7,13,16-17H2,1H3,(H,32,34);2-5,7,10-12,17H,6,8-9H2,1H3,(H,29,33);3-6,8,11-13,19H,7,9-10H2,1-2H3,(H,26,30);3-5,7,10-13,19,24H,6,8-9H2,1-2H3,(H2,26,27,30);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);2-4,6,8,10-12,17H,5,7,9H2,1H3,(H,24,29)/b;;;16-13-,24-11+;;;;/t22-;17-;2*19-;2*17-;18-;17-/m00000000/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;1-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-3-[(Z)-2-methanimidoyl-3-(6-methyl-3-pyridinyl)prop-1-enyl]urea;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-(pyridazin-3-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;4-[(2-fluoro-3-pyridinyl)methyl]-N-[(3S)-8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyridine-2-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;1-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-3-[(Z)-2-methanimidoyl-3-(6-methyl-3-pyridinyl)prop-1-enyl]urea;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-(pyridazin-3-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;4-[(2-fluoro-3-pyridinyl)methyl]-N-[(3S)-8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyridine-2-carboxamide has a molecular weight of 3815.86 g/mol, XLogP of 25.53, 27 rotatable bonds, 11 hydrogen bond donors, and 41 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;1-[(3S)-8-bromo-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-3-[(Z)-2-methanimidoyl-3-(6-methyl-3-pyridinyl)prop-1-enyl]urea;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-(pyridazin-3-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;4-[(2-fluoro-3-pyridinyl)methyl]-N-[(3S)-8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 167682463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).