N-[(3R)-7-bromo-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[(6-fluoro-2-pyridinyl)methyl]pyrazole-1-carboxamide;N-(7-bromo-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)-4-[(6-fluoro-2-pyridinyl)methyl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-7-(4-hydroxy-3,3-dimethylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[7-(4-hydroxy-3,3-dimethylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide

C192H178Br2F8N40O32 — CID 167541439

About N-[(3R)-7-bromo-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[(6-fluoro-2-pyridinyl)methyl]pyrazole-1-carboxamide;N-(7-bromo-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)-4-[(6-fluoro-2-pyridinyl)methyl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-7-(4-hydroxy-3,3-dimethylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[7-(4-hydroxy-3,3-dimethylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide

N-[(3R)-7-bromo-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[(6-fluoro-2-pyridinyl)methyl]pyrazole-1-carboxamide;N-(7-bromo-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)-4-[(6-fluoro-2-pyridinyl)methyl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-7-(4-hydroxy-3,3-dimethylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[7-(4-hydroxy-3,3-dimethylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide (PubChem CID 167541439) has the molecular formula C192H178Br2F8N40O32 and a molecular weight of 3869.58 g/mol. Its IUPAC name is N-[(3R)-7-bromo-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[(6-fluoro-2-pyridinyl)methyl]pyrazole-1-carboxamide;N-(7-bromo-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)-4-[(6-fluoro-2-pyridinyl)methyl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-7-(4-hydroxy-3,3-dimethylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[7-(4-hydroxy-3,3-dimethylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide.

Molecular Properties

• Compound Name: N-[(3R)-7-bromo-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[(6-fluoro-2-pyridinyl)methyl]pyrazole-1-carboxamide;N-(7-bromo-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)-4-[(6-fluoro-2-pyridinyl)methyl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-7-(4-hydroxy-3,3-dimethylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[7-(4-hydroxy-3,3-dimethylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide
• PubChem CID: 167541439
• Molecular Formula: C192H178Br2F8N40O32
• Molecular Weight: 3869.58 g/mol
• Exact Mass: 3865.18
• IUPAC Name: N-[(3R)-7-bromo-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[(6-fluoro-2-pyridinyl)methyl]pyrazole-1-carboxamide;N-(7-bromo-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)-4-[(6-fluoro-2-pyridinyl)methyl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-7-(4-hydroxy-3,3-dimethylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[7-(4-hydroxy-3,3-dimethylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide
• SMILES: CN1C(=O)C(NC(=O)n2cc(Cc3cccc(F)n3)cn2)COc2ccc(Br)cc21.CN1C(=O)C(NC(=O)n2cc(Cc3cccc(F)n3)cn2)COc2ccc(C#CC(C)(C)CO)cc21.CN1C(=O)C(NC(=O)n2cc(Cc3cccc(F)n3)cn2)COc2ccc(C#CC(C)(C)O)cc21.CN1C(=O)C(NC(=O)n2cc(Cc3cccc(F)n3)cn2)COc2ccc(C#CC3(O)COC3)cc21.CN1C(=O)[C@H](NC(=O)n2cc(Cc3cccc(F)n3)cn2)COc2ccc(Br)cc21.CN1C(=O)[C@H](NC(=O)n2cc(Cc3cccc(F)n3)cn2)COc2ccc(C#CC(C)(C)CO)cc21.CN1C(=O)[C@H](NC(=O)n2cc(Cc3cccc(F)n3)cn2)COc2ccc(C#CC(C)(C)O)cc21.CN1C(=O)[C@H](NC(=O)n2cc(Cc3cccc(F)n3)cn2)COc2ccc(C#CC3(O)COC3)cc21
• InChI: InChI=1S/2C26H26FN5O4.2C25H22FN5O5.2C25H24FN5O4.2C20H17BrFN5O3/c2*1-26(2,16-33)10-9-17-7-8-22-21(12-17)31(3)24(34)20(15-36-22)30-25(35)32-14-18(13-28-32)11-19-5-4-6-23(27)29-19;2*1-30-20-10-16(7-8-25(34)14-35-15-25)5-6-21(20)36-13-19(23(30)32)29-24(33)31-12-17(11-27-31)9-18-3-2-4-22(26)28-18;2*1-25(2,34)10-9-16-7-8-21-20(12-16)30(3)23(32)19(15-35-21)29-24(33)31-14-17(13-27-31)11-18-5-4-6-22(26)28-18;2*1-26-16-8-13(21)5-6-17(16)30-11-15(19(26)28)25-20(29)27-10-12(9-23-27)7-14-3-2-4-18(22)24-14/h2*4-8,12-14,20,33H,11,15-16H2,1-3H3,(H,30,35);2*2-6,10-12,19,34H,9,13-15H2,1H3,(H,29,33);2*4-8,12-14,19,34H,11,15H2,1-3H3,(H,29,33);2*2-6,8-10,15H,7,11H2,1H3,(H,25,29)/t20-;;19-;;19-;;15-;/m1.1.1.1./s1
• InChIKey: BGBKTPPNHHSGDJ-IIHHMJBMSA-N
• XLogP: 16.65
• TPSA: 854.64 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 56
• Rotatable Bonds: 26
• Heavy Atoms: 274
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3869.58
LogP ≤ 5	16.65
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	56

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-7-bromo-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[(6-fluoro-2-pyridinyl)methyl]pyrazole-1-carboxamide;N-(7-bromo-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)-4-[(6-fluoro-2-pyridinyl)methyl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-7-(4-hydroxy-3,3-dimethylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[7-(4-hydroxy-3,3-dimethylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide?

The IUPAC name of N-[(3R)-7-bromo-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[(6-fluoro-2-pyridinyl)methyl]pyrazole-1-carboxamide;N-(7-bromo-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)-4-[(6-fluoro-2-pyridinyl)methyl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-7-(4-hydroxy-3,3-dimethylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[7-(4-hydroxy-3,3-dimethylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide (CID 167541439) is N-[(3R)-7-bromo-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[(6-fluoro-2-pyridinyl)methyl]pyrazole-1-carboxamide;N-(7-bromo-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)-4-[(6-fluoro-2-pyridinyl)methyl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-7-(4-hydroxy-3,3-dimethylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[7-(4-hydroxy-3,3-dimethylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide.

What is the SMILES notation for N-[(3R)-7-bromo-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[(6-fluoro-2-pyridinyl)methyl]pyrazole-1-carboxamide;N-(7-bromo-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)-4-[(6-fluoro-2-pyridinyl)methyl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-7-(4-hydroxy-3,3-dimethylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[7-(4-hydroxy-3,3-dimethylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide?

The canonical SMILES for N-[(3R)-7-bromo-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[(6-fluoro-2-pyridinyl)methyl]pyrazole-1-carboxamide;N-(7-bromo-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)-4-[(6-fluoro-2-pyridinyl)methyl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-7-(4-hydroxy-3,3-dimethylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[7-(4-hydroxy-3,3-dimethylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide is CN1C(=O)C(NC(=O)n2cc(Cc3cccc(F)n3)cn2)COc2ccc(Br)cc21.CN1C(=O)C(NC(=O)n2cc(Cc3cccc(F)n3)cn2)COc2ccc(C#CC(C)(C)CO)cc21.CN1C(=O)C(NC(=O)n2cc(Cc3cccc(F)n3)cn2)COc2ccc(C#CC(C)(C)O)cc21.CN1C(=O)C(NC(=O)n2cc(Cc3cccc(F)n3)cn2)COc2ccc(C#CC3(O)COC3)cc21.CN1C(=O)[C@H](NC(=O)n2cc(Cc3cccc(F)n3)cn2)COc2ccc(Br)cc21.CN1C(=O)[C@H](NC(=O)n2cc(Cc3cccc(F)n3)cn2)COc2ccc(C#CC(C)(C)CO)cc21.CN1C(=O)[C@H](NC(=O)n2cc(Cc3cccc(F)n3)cn2)COc2ccc(C#CC(C)(C)O)cc21.CN1C(=O)[C@H](NC(=O)n2cc(Cc3cccc(F)n3)cn2)COc2ccc(C#CC3(O)COC3)cc21.

What is the InChIKey of N-[(3R)-7-bromo-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[(6-fluoro-2-pyridinyl)methyl]pyrazole-1-carboxamide;N-(7-bromo-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)-4-[(6-fluoro-2-pyridinyl)methyl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-7-(4-hydroxy-3,3-dimethylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[7-(4-hydroxy-3,3-dimethylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide?

The InChIKey is BGBKTPPNHHSGDJ-IIHHMJBMSA-N. The full InChI is InChI=1S/2C26H26FN5O4.2C25H22FN5O5.2C25H24FN5O4.2C20H17BrFN5O3/c2*1-26(2,16-33)10-9-17-7-8-22-21(12-17)31(3)24(34)20(15-36-22)30-25(35)32-14-18(13-28-32)11-19-5-4-6-23(27)29-19;2*1-30-20-10-16(7-8-25(34)14-35-15-25)5-6-21(20)36-13-19(23(30)32)29-24(33)31-12-17(11-27-31)9-18-3-2-4-22(26)28-18;2*1-25(2,34)10-9-16-7-8-21-20(12-16)30(3)23(32)19(15-35-21)29-24(33)31-14-17(13-27-31)11-18-5-4-6-22(26)28-18;2*1-26-16-8-13(21)5-6-17(16)30-11-15(19(26)28)25-20(29)27-10-12(9-23-27)7-14-3-2-4-18(22)24-14/h2*4-8,12-14,20,33H,11,15-16H2,1-3H3,(H,30,35);2*2-6,10-12,19,34H,9,13-15H2,1H3,(H,29,33);2*4-8,12-14,19,34H,11,15H2,1-3H3,(H,29,33);2*2-6,8-10,15H,7,11H2,1H3,(H,25,29)/t20-;;19-;;19-;;15-;/m1.1.1.1./s1.

What are the key properties of N-[(3R)-7-bromo-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[(6-fluoro-2-pyridinyl)methyl]pyrazole-1-carboxamide;N-(7-bromo-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)-4-[(6-fluoro-2-pyridinyl)methyl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-7-(4-hydroxy-3,3-dimethylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[7-(4-hydroxy-3,3-dimethylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide?

N-[(3R)-7-bromo-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[(6-fluoro-2-pyridinyl)methyl]pyrazole-1-carboxamide;N-(7-bromo-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)-4-[(6-fluoro-2-pyridinyl)methyl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-7-(4-hydroxy-3,3-dimethylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[7-(4-hydroxy-3,3-dimethylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide has a molecular weight of 3869.58 g/mol, XLogP of 16.65, 26 rotatable bonds, 14 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R)-7-bromo-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[(6-fluoro-2-pyridinyl)methyl]pyrazole-1-carboxamide;N-(7-bromo-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)-4-[(6-fluoro-2-pyridinyl)methyl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-7-(4-hydroxy-3,3-dimethylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[7-(4-hydroxy-3,3-dimethylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-1-carboxamide is sourced from PubChem (CID 167541439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).