1-benzyl-N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]imidazole-4-carboxamide;1-benzyl-N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,2-oxazole-3-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-4-fluoro-1-[(3-methylphenyl)methyl]pyrazole-3-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-5-(2-fluorophenoxy)pyridazine-3-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole-2-carboxamide;4-fluoro-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1-[(5-methyl-3-pyridinyl)methyl]pyrazole-3-carboxamide

C146H139F3N36O24 — CID 162013337

IUPAC1-benzyl-N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]imidazole-4-carboxamide;1-benzyl-N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,2-oxazole-3-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-4-fluoro-1-[(3-methylphenyl)methyl]pyrazole-3-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-5-(2-fluorophenoxy)pyridazine-3-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole-2-carboxamide;4-fluoro-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1-[(5-methyl-3-pyridinyl)methyl]pyrazole-3-carboxamide
SMILESCN1C(=O)[C@@H](NC(=O)c2cc(Cc3ccccc3)on2)COc2cccnc21.C[C@H]1Oc2cccnc2N(C)C(=O)[C@H]1NC(=O)c1cc(Oc2ccccc2F)cnn1.C[C@H]1Oc2cccnc2N(C)C(=O)[C@H]1NC(=O)c1cn(Cc2ccccc2)cn1.C[C@H]1Oc2cccnc2N(C)C(=O)[C@H]1NC(=O)c1ncn(Cc2ccccc2)n1.C[C@H]1Oc2cccnc2N(C)C(=O)[C@H]1NC(=O)c1nnc(C2(c3ccccc3)CC2)o1.Cc1cccc(Cn2cc(F)c(C(=O)N[C@@H]3C(=O)N(C)c4ncccc4O[C@@H]3C)n2)c1.Cc1cncc(Cn2cc(F)c(C(=O)N[C@H]3COc4cccnc4N(C)C3=O)n2)c1
InChIInChI=1S/C22H22FN5O3.C22H21N5O4.C21H18FN5O4.C21H21N5O3.C20H19FN6O3.C20H20N6O3.C20H18N4O4/c1-13-6-4-7-15(10-13)11-28-12-16(23)19(26-28)21(29)25-18-14(2)31-17-8-5-9-24-20(17)27(3)22(18)30;1-13-16(20(29)27(2)17-15(30-13)9-6-12-23-17)24-18(28)19-25-26-21(31-19)22(10-11-22)14-7-4-3-5-8-14;1-12-18(21(29)27(2)19-17(30-12)8-5-9-23-19)25-20(28)15-10-13(11-24-26-15)31-16-7-4-3-6-14(16)22;1-14-18(21(28)25(2)19-17(29-14)9-6-10-22-19)24-20(27)16-12-26(13-23-16)11-15-7-4-3-5-8-15;1-12-6-13(8-22-7-12)9-27-10-14(21)17(25-27)19(28)24-15-11-30-16-4-3-5-23-18(16)26(2)20(15)29;1-13-16(20(28)25(2)18-15(29-13)9-6-10-21-18)23-19(27)17-22-12-26(24-17)11-14-7-4-3-5-8-14;1-24-18-17(8-5-9-21-18)27-12-16(20(24)26)22-19(25)15-11-14(28-23-15)10-13-6-3-2-4-7-13/h4-10,12,14,18H,11H2,1-3H3,(H,25,29);3-9,12-13,16H,10-11H2,1-2H3,(H,24,28);3-12,18H,1-2H3,(H,25,28);3-10,12-14,18H,11H2,1-2H3,(H,24,27);3-8,10,15H,9,11H2,1-2H3,(H,24,28);3-10,12-13,16H,11H2,1-2H3,(H,23,27);2-9,11,16H,10,12H2,1H3,(H,22,25)/t14-,18+;13-,16+;12-,18+;14-,18+;15-;13-,16+;16-/m1111010/s1
InChIKeyYTTRTMANYWFIEO-FVLVJPFXSA-N
MW2838.94 g/mol
LogP13.02
Rot. Bonds28

About 1-benzyl-N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]imidazole-4-carboxamide;1-benzyl-N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,2-oxazole-3-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-4-fluoro-1-[(3-methylphenyl)methyl]pyrazole-3-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-5-(2-fluorophenoxy)pyridazine-3-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole-2-carboxamide;4-fluoro-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1-[(5-methyl-3-pyridinyl)methyl]pyrazole-3-carboxamide

1-benzyl-N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]imidazole-4-carboxamide;1-benzyl-N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,2-oxazole-3-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-4-fluoro-1-[(3-methylphenyl)methyl]pyrazole-3-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-5-(2-fluorophenoxy)pyridazine-3-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole-2-carboxamide;4-fluoro-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1-[(5-methyl-3-pyridinyl)methyl]pyrazole-3-carboxamide (PubChem CID 162013337) has the molecular formula C146H139F3N36O24 and a molecular weight of 2838.94 g/mol. Its IUPAC name is 1-benzyl-N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]imidazole-4-carboxamide;1-benzyl-N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,2-oxazole-3-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-4-fluoro-1-[(3-methylphenyl)methyl]pyrazole-3-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-5-(2-fluorophenoxy)pyridazine-3-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole-2-carboxamide;4-fluoro-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1-[(5-methyl-3-pyridinyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]imidazole-4-carboxamide;1-benzyl-N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,2-oxazole-3-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-4-fluoro-1-[(3-methylphenyl)methyl]pyrazole-3-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-5-(2-fluorophenoxy)pyridazine-3-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole-2-carboxamide;4-fluoro-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1-[(5-methyl-3-pyridinyl)methyl]pyrazole-3-carboxamide
PubChem CID162013337
Molecular FormulaC146H139F3N36O24
Molecular Weight2838.94 g/mol
Exact Mass2837.07
IUPAC Name1-benzyl-N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]imidazole-4-carboxamide;1-benzyl-N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,2-oxazole-3-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-4-fluoro-1-[(3-methylphenyl)methyl]pyrazole-3-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-5-(2-fluorophenoxy)pyridazine-3-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole-2-carboxamide;4-fluoro-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1-[(5-methyl-3-pyridinyl)methyl]pyrazole-3-carboxamide
SMILESCN1C(=O)[C@@H](NC(=O)c2cc(Cc3ccccc3)on2)COc2cccnc21.C[C@H]1Oc2cccnc2N(C)C(=O)[C@H]1NC(=O)c1cc(Oc2ccccc2F)cnn1.C[C@H]1Oc2cccnc2N(C)C(=O)[C@H]1NC(=O)c1cn(Cc2ccccc2)cn1.C[C@H]1Oc2cccnc2N(C)C(=O)[C@H]1NC(=O)c1ncn(Cc2ccccc2)n1.C[C@H]1Oc2cccnc2N(C)C(=O)[C@H]1NC(=O)c1nnc(C2(c3ccccc3)CC2)o1.Cc1cccc(Cn2cc(F)c(C(=O)N[C@@H]3C(=O)N(C)c4ncccc4O[C@@H]3C)n2)c1.Cc1cncc(Cn2cc(F)c(C(=O)N[C@H]3COc4cccnc4N(C)C3=O)n2)c1
InChIInChI=1S/C22H22FN5O3.C22H21N5O4.C21H18FN5O4.C21H21N5O3.C20H19FN6O3.C20H20N6O3.C20H18N4O4/c1-13-6-4-7-15(10-13)11-28-12-16(23)19(26-28)21(29)25-18-14(2)31-17-8-5-9-24-20(17)27(3)22(18)30;1-13-16(20(29)27(2)17-15(30-13)9-6-12-23-17)24-18(28)19-25-26-21(31-19)22(10-11-22)14-7-4-3-5-8-14;1-12-18(21(29)27(2)19-17(30-12)8-5-9-23-19)25-20(28)15-10-13(11-24-26-15)31-16-7-4-3-6-14(16)22;1-14-18(21(28)25(2)19-17(29-14)9-6-10-22-19)24-20(27)16-12-26(13-23-16)11-15-7-4-3-5-8-15;1-12-6-13(8-22-7-12)9-27-10-14(21)17(25-27)19(28)24-15-11-30-16-4-3-5-23-18(16)26(2)20(15)29;1-13-16(20(28)25(2)18-15(29-13)9-6-10-21-18)23-19(27)17-22-12-26(24-17)11-14-7-4-3-5-8-14;1-24-18-17(8-5-9-21-18)27-12-16(20(24)26)22-19(25)15-11-14(28-23-15)10-13-6-3-2-4-7-13/h4-10,12,14,18H,11H2,1-3H3,(H,25,29);3-9,12-13,16H,10-11H2,1-2H3,(H,24,28);3-12,18H,1-2H3,(H,25,28);3-10,12-14,18H,11H2,1-2H3,(H,24,27);3-8,10,15H,9,11H2,1-2H3,(H,24,28);3-10,12-13,16H,11H2,1-2H3,(H,23,27);2-9,11,16H,10,12H2,1H3,(H,22,25)/t14-,18+;13-,16+;12-,18+;14-,18+;15-;13-,16+;16-/m1111010/s1
InChIKeyYTTRTMANYWFIEO-FVLVJPFXSA-N
XLogP13.02
TPSA697.73 Ų
H-Bond Donors7
H-Bond Acceptors46
Rotatable Bonds28
Heavy Atoms209
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002838.94
LogP ≤ 513.02
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1046

Analyze 1-benzyl-N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]imidazole-4-carboxamide;1-benzyl-N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,2-oxazole-3-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-4-fluoro-1-[(3-methylphenyl)methyl]pyrazole-3-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-5-(2-fluorophenoxy)pyridazine-3-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole-2-carboxamide;4-fluoro-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1-[(5-methyl-3-pyridinyl)methyl]pyrazole-3-carboxamide with MolForge

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Related Compounds

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CID 157774780
N-benzyl-2-tert-butyl-1,3-oxazol-5-amine;1-tert-butyl-3-chloro-4-methyl-5-phenylpyrazole;5-tert-butyl-2-(3-diethylphosphorylphenyl)-1,3-oxazole;4-tert-butyl-2-imidazol-1-yl-1,3-oxazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;(2-tert-butyl-1,3-oxazol-4-yl)methanamine;[3-(4-tert-butyl-1,3-oxazol-2-yl)phenyl]-piperazin-1-ylmethanone;(5-tert-butyl-1,2-oxazol-4-yl)-piperazin-1-ylmethanone;(5-tert-butyl-1,3-oxazol-2-yl)-pyrrolidin-1-ylmethanone;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;5-tert-butyl-3-phenyl-1,2-oxazole;4-tert-butyl-3-(piperazin-1-ylmethyl)-1,2-oxazol-5-amine;5-tert-butyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;methyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate
CID 158707869
N-[3-[(5-tert-butylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-ethylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;bis(N-[3-[(2-fluoropyridine-3-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide);N-[3-[(1-methylimidazole-4-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrazine-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-(oxane-2-carbonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(4-phenylpyridine-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(2H-triazole-4-carbonylamino)propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]propyl]-1,2-oxazole-3-carboxamide
CID 158757201
6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-(2-methoxyethylamino)pyrazine-2-carboxamide;2-[3-[(3R)-3-hydroxy-3-(5-methyl-1,3-oxazol-2-yl)but-1-ynyl]phenyl]-6-(2-methylpyrazol-3-yl)pyrimidine-4-carboxamide;2-[3-[(3R)-3-hydroxy-3-(5-methyl-1,3-oxazol-2-yl)but-1-ynyl]phenyl]pyrimidine-4-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrimidine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-methylpyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-pyrazol-1-ylpyrimidine-4-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 159181312
N-[3-[(5-tert-butylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-ethylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;bis(N-[3-[(2-fluoropyridine-3-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide);methane;N-[3-[(1-methylimidazole-4-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrazine-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(4-phenylpyridine-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(2H-triazole-4-carbonylamino)propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]propyl]-1,2-oxazole-3-carboxamide
CID 159408598
2-[4-[3-[(1R)-1-[4-(5-amino-3-methylpyrazin-2-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;3-[1-cyclopropyl-1-[4-(5-methoxy-3-pyridinyl)phenyl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole;5-[4-[3-methyl-2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine
CID 160137696
N-(1-amino-1,2-dioxopentan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-chloropyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(2-methylpyrimidin-4-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-4-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyl-1-propan-2-ylpyrazole-4-carboxamide;N-[3,4-dioxo-1-phenyl-4-[[4-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide
CID 160224548
N-benzyl-2-tert-butyl-1,3-oxazol-5-amine;2-tert-butyl-5-chloro-4-methyl-3-phenyl-3H-pyrazol-2-ium;5-tert-butyl-2-(3-diethylphosphorylphenyl)-1,3-oxazole;4-tert-butyl-2-imidazol-1-yl-1,3-oxazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;(2-tert-butyl-1,3-oxazol-4-yl)methanamine;[3-(4-tert-butyl-1,3-oxazol-2-yl)phenyl]-piperazin-1-ylmethanone;(5-tert-butyl-1,2-oxazol-4-yl)-piperazin-1-ylmethanone;(5-tert-butyl-1,3-oxazol-2-yl)-pyrrolidin-1-ylmethanone;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;5-tert-butyl-3-phenyl-1,2-oxazole;4-tert-butyl-3-(piperazin-1-ylmethyl)-1,2-oxazol-5-amine;5-tert-butyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 160623089
3-amino-5-fluoro-6-[3-[(3R)-3-hydroxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)but-1-ynyl]phenyl]pyridine-2-carboxamide;3-amino-5-fluoro-6-[3-[(3R)-3-hydroxy-3-(5-methyl-1,3-oxazol-2-yl)but-1-ynyl]phenyl]pyridine-2-carboxamide;3-amino-5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopiperidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrimidine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-(2-methoxyethylamino)pyrazine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-methylpyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 161647606
3-amino-5-fluoro-6-[3-[(3R)-3-hydroxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)but-1-ynyl]phenyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-(2-methoxyethylamino)pyrazine-2-carboxamide;2-[3-[(3R)-3-hydroxy-3-(5-methyl-1,3-oxazol-2-yl)but-1-ynyl]phenyl]-6-(2-methylpyrazol-3-yl)pyrimidine-4-carboxamide;2-[3-[(3R)-3-hydroxy-3-(5-methyl-1,3-oxazol-2-yl)but-1-ynyl]phenyl]pyrimidine-4-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrimidine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-methylpyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 161683483
(3-tert-butyl-5-methyl-1,2-oxazol-4-yl)-piperazin-1-ylmethanone;3-tert-butyl-5-methyl-N-piperidin-4-yl-1,2-oxazole-4-carboxamide;(5-tert-butyl-1,2-oxazol-4-yl)-piperazin-1-ylmethanone;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;5-tert-butyl-3-phenyl-1,2-oxazole;4-tert-butyl-3-(piperazin-1-ylmethyl)-1,2-oxazol-5-amine;4-tert-butyl-3-(piperazin-1-ylmethyl)-1,2-oxazole;5-tert-butyl-2-(piperazin-1-ylmethyl)-1,3-oxazole;2-tert-butyl-5-piperazin-1-yl-1,3-oxazole;5-tert-butyl-3-(2-piperidin-4-ylethyl)-1,2-oxazole;2-tert-butyl-N-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide;5-tert-butyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 161789358
N-[3-[(5-tert-butylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-ethylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;bis(N-[3-[(2-fluoropyridine-3-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide);N-[3-[(1-methylimidazole-4-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrazine-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-(oxane-2-carbonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(4-phenylpyridine-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(2H-triazole-4-carbonylamino)propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]propyl]-1,2-oxazole-3-carboxamide
CID 161849586

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]imidazole-4-carboxamide;1-benzyl-N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,2-oxazole-3-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-4-fluoro-1-[(3-methylphenyl)methyl]pyrazole-3-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-5-(2-fluorophenoxy)pyridazine-3-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole-2-carboxamide;4-fluoro-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1-[(5-methyl-3-pyridinyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-benzyl-N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]imidazole-4-carboxamide;1-benzyl-N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,2-oxazole-3-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-4-fluoro-1-[(3-methylphenyl)methyl]pyrazole-3-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-5-(2-fluorophenoxy)pyridazine-3-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole-2-carboxamide;4-fluoro-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1-[(5-methyl-3-pyridinyl)methyl]pyrazole-3-carboxamide (CID 162013337) is 1-benzyl-N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]imidazole-4-carboxamide;1-benzyl-N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,2-oxazole-3-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-4-fluoro-1-[(3-methylphenyl)methyl]pyrazole-3-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-5-(2-fluorophenoxy)pyridazine-3-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole-2-carboxamide;4-fluoro-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1-[(5-methyl-3-pyridinyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]imidazole-4-carboxamide;1-benzyl-N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,2-oxazole-3-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-4-fluoro-1-[(3-methylphenyl)methyl]pyrazole-3-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-5-(2-fluorophenoxy)pyridazine-3-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole-2-carboxamide;4-fluoro-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1-[(5-methyl-3-pyridinyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]imidazole-4-carboxamide;1-benzyl-N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,2-oxazole-3-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-4-fluoro-1-[(3-methylphenyl)methyl]pyrazole-3-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-5-(2-fluorophenoxy)pyridazine-3-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole-2-carboxamide;4-fluoro-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1-[(5-methyl-3-pyridinyl)methyl]pyrazole-3-carboxamide is CN1C(=O)[C@@H](NC(=O)c2cc(Cc3ccccc3)on2)COc2cccnc21.C[C@H]1Oc2cccnc2N(C)C(=O)[C@H]1NC(=O)c1cc(Oc2ccccc2F)cnn1.C[C@H]1Oc2cccnc2N(C)C(=O)[C@H]1NC(=O)c1cn(Cc2ccccc2)cn1.C[C@H]1Oc2cccnc2N(C)C(=O)[C@H]1NC(=O)c1ncn(Cc2ccccc2)n1.C[C@H]1Oc2cccnc2N(C)C(=O)[C@H]1NC(=O)c1nnc(C2(c3ccccc3)CC2)o1.Cc1cccc(Cn2cc(F)c(C(=O)N[C@@H]3C(=O)N(C)c4ncccc4O[C@@H]3C)n2)c1.Cc1cncc(Cn2cc(F)c(C(=O)N[C@H]3COc4cccnc4N(C)C3=O)n2)c1.
What is the InChIKey of 1-benzyl-N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]imidazole-4-carboxamide;1-benzyl-N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,2-oxazole-3-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-4-fluoro-1-[(3-methylphenyl)methyl]pyrazole-3-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-5-(2-fluorophenoxy)pyridazine-3-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole-2-carboxamide;4-fluoro-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1-[(5-methyl-3-pyridinyl)methyl]pyrazole-3-carboxamide?
The InChIKey is YTTRTMANYWFIEO-FVLVJPFXSA-N. The full InChI is InChI=1S/C22H22FN5O3.C22H21N5O4.C21H18FN5O4.C21H21N5O3.C20H19FN6O3.C20H20N6O3.C20H18N4O4/c1-13-6-4-7-15(10-13)11-28-12-16(23)19(26-28)21(29)25-18-14(2)31-17-8-5-9-24-20(17)27(3)22(18)30;1-13-16(20(29)27(2)17-15(30-13)9-6-12-23-17)24-18(28)19-25-26-21(31-19)22(10-11-22)14-7-4-3-5-8-14;1-12-18(21(29)27(2)19-17(30-12)8-5-9-23-19)25-20(28)15-10-13(11-24-26-15)31-16-7-4-3-6-14(16)22;1-14-18(21(28)25(2)19-17(29-14)9-6-10-22-19)24-20(27)16-12-26(13-23-16)11-15-7-4-3-5-8-15;1-12-6-13(8-22-7-12)9-27-10-14(21)17(25-27)19(28)24-15-11-30-16-4-3-5-23-18(16)26(2)20(15)29;1-13-16(20(28)25(2)18-15(29-13)9-6-10-21-18)23-19(27)17-22-12-26(24-17)11-14-7-4-3-5-8-14;1-24-18-17(8-5-9-21-18)27-12-16(20(24)26)22-19(25)15-11-14(28-23-15)10-13-6-3-2-4-7-13/h4-10,12,14,18H,11H2,1-3H3,(H,25,29);3-9,12-13,16H,10-11H2,1-2H3,(H,24,28);3-12,18H,1-2H3,(H,25,28);3-10,12-14,18H,11H2,1-2H3,(H,24,27);3-8,10,15H,9,11H2,1-2H3,(H,24,28);3-10,12-13,16H,11H2,1-2H3,(H,23,27);2-9,11,16H,10,12H2,1H3,(H,22,25)/t14-,18+;13-,16+;12-,18+;14-,18+;15-;13-,16+;16-/m1111010/s1.
What are the key properties of 1-benzyl-N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]imidazole-4-carboxamide;1-benzyl-N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,2-oxazole-3-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-4-fluoro-1-[(3-methylphenyl)methyl]pyrazole-3-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-5-(2-fluorophenoxy)pyridazine-3-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole-2-carboxamide;4-fluoro-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1-[(5-methyl-3-pyridinyl)methyl]pyrazole-3-carboxamide?
1-benzyl-N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]imidazole-4-carboxamide;1-benzyl-N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,2-oxazole-3-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-4-fluoro-1-[(3-methylphenyl)methyl]pyrazole-3-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-5-(2-fluorophenoxy)pyridazine-3-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole-2-carboxamide;4-fluoro-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1-[(5-methyl-3-pyridinyl)methyl]pyrazole-3-carboxamide has a molecular weight of 2838.94 g/mol, XLogP of 13.02, 28 rotatable bonds, 7 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]imidazole-4-carboxamide;1-benzyl-N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,2-oxazole-3-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-4-fluoro-1-[(3-methylphenyl)methyl]pyrazole-3-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-5-(2-fluorophenoxy)pyridazine-3-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole-2-carboxamide;4-fluoro-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1-[(5-methyl-3-pyridinyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 162013337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).