bis(4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-8-(4-hydroxy-3,3-dimethylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide);bis(4-[(6-fluoro-2-pyridinyl)methyl]-N-[8-(4-hydroxy-3,3-dimethylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide);4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide

C160H164F6N30O18 — CID 159713371

About bis(4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-8-(4-hydroxy-3,3-dimethylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide);bis(4-[(6-fluoro-2-pyridinyl)methyl]-N-[8-(4-hydroxy-3,3-dimethylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide);4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide

bis(4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-8-(4-hydroxy-3,3-dimethylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide);bis(4-[(6-fluoro-2-pyridinyl)methyl]-N-[8-(4-hydroxy-3,3-dimethylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide);4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide (PubChem CID 159713371) has the molecular formula C160H164F6N30O18 and a molecular weight of 2909.25 g/mol. Its IUPAC name is bis(4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-8-(4-hydroxy-3,3-dimethylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide);bis(4-[(6-fluoro-2-pyridinyl)methyl]-N-[8-(4-hydroxy-3,3-dimethylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide);4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide.

Molecular Properties

• Compound Name: bis(4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-8-(4-hydroxy-3,3-dimethylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide);bis(4-[(6-fluoro-2-pyridinyl)methyl]-N-[8-(4-hydroxy-3,3-dimethylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide);4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide
• PubChem CID: 159713371
• Molecular Formula: C160H164F6N30O18
• Molecular Weight: 2909.25 g/mol
• Exact Mass: 2907.27
• IUPAC Name: bis(4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-8-(4-hydroxy-3,3-dimethylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide);bis(4-[(6-fluoro-2-pyridinyl)methyl]-N-[8-(4-hydroxy-3,3-dimethylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide);4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide
• SMILES: CN1C(=O)C(NC(=O)n2cc(Cc3cccc(F)n3)cn2)CCc2ccc(C#CC(C)(C)CO)cc21.CN1C(=O)C(NC(=O)n2cc(Cc3cccc(F)n3)cn2)CCc2ccc(C#CC(C)(C)CO)cc21.CN1C(=O)C(NC(=O)n2cc(Cc3cccc(F)n3)cn2)CCc2ccc(C#CC(C)(C)O)cc21.CN1C(=O)[C@H](NC(=O)n2cc(Cc3cccc(F)n3)cn2)CCc2ccc(C#CC(C)(C)CO)cc21.CN1C(=O)[C@H](NC(=O)n2cc(Cc3cccc(F)n3)cn2)CCc2ccc(C#CC(C)(C)CO)cc21.CN1C(=O)[C@H](NC(=O)n2cc(Cc3cccc(F)n3)cn2)CCc2ccc(C#CC(C)(C)O)cc21
• InChI: InChI=1S/4C27H28FN5O3.2C26H26FN5O3/c4*1-27(2,17-34)12-11-18-7-8-20-9-10-22(25(35)32(3)23(20)14-18)31-26(36)33-16-19(15-29-33)13-21-5-4-6-24(28)30-21;2*1-26(2,35)12-11-17-7-8-19-9-10-21(24(33)31(3)22(19)14-17)30-25(34)32-16-18(15-28-32)13-20-5-4-6-23(27)29-20/h4*4-8,14-16,22,34H,9-10,13,17H2,1-3H3,(H,31,36);2*4-8,14-16,21,35H,9-10,13H2,1-3H3,(H,30,34)/t2*22-;;;21-;/m11..1./s1
• InChIKey: MZCUKGDTHFHYHT-ZIKFHFQISA-N
• XLogP: 16.99
• TPSA: 602.10 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 36
• Rotatable Bonds: 22
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2909.25
LogP ≤ 5	16.99
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-8-(4-hydroxy-3,3-dimethylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide);bis(4-[(6-fluoro-2-pyridinyl)methyl]-N-[8-(4-hydroxy-3,3-dimethylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide);4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide?

The IUPAC name of bis(4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-8-(4-hydroxy-3,3-dimethylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide);bis(4-[(6-fluoro-2-pyridinyl)methyl]-N-[8-(4-hydroxy-3,3-dimethylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide);4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide (CID 159713371) is bis(4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-8-(4-hydroxy-3,3-dimethylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide);bis(4-[(6-fluoro-2-pyridinyl)methyl]-N-[8-(4-hydroxy-3,3-dimethylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide);4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide.

What is the SMILES notation for bis(4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-8-(4-hydroxy-3,3-dimethylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide);bis(4-[(6-fluoro-2-pyridinyl)methyl]-N-[8-(4-hydroxy-3,3-dimethylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide);4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide?

The canonical SMILES for bis(4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-8-(4-hydroxy-3,3-dimethylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide);bis(4-[(6-fluoro-2-pyridinyl)methyl]-N-[8-(4-hydroxy-3,3-dimethylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide);4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide is CN1C(=O)C(NC(=O)n2cc(Cc3cccc(F)n3)cn2)CCc2ccc(C#CC(C)(C)CO)cc21.CN1C(=O)C(NC(=O)n2cc(Cc3cccc(F)n3)cn2)CCc2ccc(C#CC(C)(C)CO)cc21.CN1C(=O)C(NC(=O)n2cc(Cc3cccc(F)n3)cn2)CCc2ccc(C#CC(C)(C)O)cc21.CN1C(=O)[C@H](NC(=O)n2cc(Cc3cccc(F)n3)cn2)CCc2ccc(C#CC(C)(C)CO)cc21.CN1C(=O)[C@H](NC(=O)n2cc(Cc3cccc(F)n3)cn2)CCc2ccc(C#CC(C)(C)CO)cc21.CN1C(=O)[C@H](NC(=O)n2cc(Cc3cccc(F)n3)cn2)CCc2ccc(C#CC(C)(C)O)cc21.

What is the InChIKey of bis(4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-8-(4-hydroxy-3,3-dimethylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide);bis(4-[(6-fluoro-2-pyridinyl)methyl]-N-[8-(4-hydroxy-3,3-dimethylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide);4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide?

The InChIKey is MZCUKGDTHFHYHT-ZIKFHFQISA-N. The full InChI is InChI=1S/4C27H28FN5O3.2C26H26FN5O3/c4*1-27(2,17-34)12-11-18-7-8-20-9-10-22(25(35)32(3)23(20)14-18)31-26(36)33-16-19(15-29-33)13-21-5-4-6-24(28)30-21;2*1-26(2,35)12-11-17-7-8-19-9-10-21(24(33)31(3)22(19)14-17)30-25(34)32-16-18(15-28-32)13-20-5-4-6-23(27)29-20/h4*4-8,14-16,22,34H,9-10,13,17H2,1-3H3,(H,31,36);2*4-8,14-16,21,35H,9-10,13H2,1-3H3,(H,30,34)/t2*22-;;;21-;/m11..1./s1.

What are the key properties of bis(4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-8-(4-hydroxy-3,3-dimethylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide);bis(4-[(6-fluoro-2-pyridinyl)methyl]-N-[8-(4-hydroxy-3,3-dimethylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide);4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide?

bis(4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-8-(4-hydroxy-3,3-dimethylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide);bis(4-[(6-fluoro-2-pyridinyl)methyl]-N-[8-(4-hydroxy-3,3-dimethylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide);4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide has a molecular weight of 2909.25 g/mol, XLogP of 16.99, 22 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-8-(4-hydroxy-3,3-dimethylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide);bis(4-[(6-fluoro-2-pyridinyl)methyl]-N-[8-(4-hydroxy-3,3-dimethylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide);4-[(6-fluoro-2-pyridinyl)methyl]-N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-2-pyridinyl)methyl]-N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide is sourced from PubChem (CID 159713371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).