7-(6-bromo-3-pyridinyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(4-chloro-2-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(3-methoxy-4-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-methyl-2-(2-phenyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;2-(2-methyl-4-pyridinyl)-7-[4-methyl-2-(trifluoromethyl)phenyl]-3,5-dihydro-1-benzazepin-4-one;2-(2-methyl-4-pyridinyl)-7-phenyl-3,5-dihydro-1-benzazepin-4-one

C136H112BrClF3N13O7 — CID 160571738

About 7-(6-bromo-3-pyridinyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(4-chloro-2-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(3-methoxy-4-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-methyl-2-(2-phenyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;2-(2-methyl-4-pyridinyl)-7-[4-methyl-2-(trifluoromethyl)phenyl]-3,5-dihydro-1-benzazepin-4-one;2-(2-methyl-4-pyridinyl)-7-phenyl-3,5-dihydro-1-benzazepin-4-one

7-(6-bromo-3-pyridinyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(4-chloro-2-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(3-methoxy-4-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-methyl-2-(2-phenyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;2-(2-methyl-4-pyridinyl)-7-[4-methyl-2-(trifluoromethyl)phenyl]-3,5-dihydro-1-benzazepin-4-one;2-(2-methyl-4-pyridinyl)-7-phenyl-3,5-dihydro-1-benzazepin-4-one (PubChem CID 160571738) has the molecular formula C136H112BrClF3N13O7 and a molecular weight of 2212.83 g/mol. Its IUPAC name is 7-(6-bromo-3-pyridinyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(4-chloro-2-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(3-methoxy-4-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-methyl-2-(2-phenyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;2-(2-methyl-4-pyridinyl)-7-[4-methyl-2-(trifluoromethyl)phenyl]-3,5-dihydro-1-benzazepin-4-one;2-(2-methyl-4-pyridinyl)-7-phenyl-3,5-dihydro-1-benzazepin-4-one.

Molecular Properties

• Compound Name: 7-(6-bromo-3-pyridinyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(4-chloro-2-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(3-methoxy-4-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-methyl-2-(2-phenyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;2-(2-methyl-4-pyridinyl)-7-[4-methyl-2-(trifluoromethyl)phenyl]-3,5-dihydro-1-benzazepin-4-one;2-(2-methyl-4-pyridinyl)-7-phenyl-3,5-dihydro-1-benzazepin-4-one
• PubChem CID: 160571738
• Molecular Formula: C136H112BrClF3N13O7
• Molecular Weight: 2212.83 g/mol
• Exact Mass: 2209.76
• IUPAC Name: 7-(6-bromo-3-pyridinyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(4-chloro-2-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(3-methoxy-4-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-methyl-2-(2-phenyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;2-(2-methyl-4-pyridinyl)-7-[4-methyl-2-(trifluoromethyl)phenyl]-3,5-dihydro-1-benzazepin-4-one;2-(2-methyl-4-pyridinyl)-7-phenyl-3,5-dihydro-1-benzazepin-4-one
• SMILES: COc1cc(-c2ccc3c(c2)CC(=O)CC(c2ccnc(C)c2)=N3)ccc1C.Cc1cc(C2=Nc3ccc(-c4ccc(Br)nc4)cc3CC(=O)C2)ccn1.Cc1cc(C2=Nc3ccc(-c4ccc(Cl)cc4C)cc3CC(=O)C2)ccn1.Cc1cc(C2=Nc3ccc(-c4ccccc4)cc3CC(=O)C2)ccn1.Cc1ccc(-c2ccc3c(c2)CC(=O)CC(c2ccnc(C)c2)=N3)c(C(F)(F)F)c1.Cc1ccc2c(c1)CC(=O)CC(c1ccnc(-c3ccccc3)c1)=N2
• InChI: InChI=1S/C24H19F3N2O.C24H22N2O2.C23H19ClN2O.2C22H18N2O.C21H16BrN3O/c1-14-3-5-20(21(9-14)24(25,26)27)16-4-6-22-18(11-16)12-19(30)13-23(29-22)17-7-8-28-15(2)10-17;1-15-4-5-18(13-24(15)28-3)17-6-7-22-20(11-17)12-21(27)14-23(26-22)19-8-9-25-16(2)10-19;1-14-9-19(24)4-5-21(14)16-3-6-22-18(11-16)12-20(27)13-23(26-22)17-7-8-25-15(2)10-17;1-15-11-18(9-10-23-15)22-14-20(25)13-19-12-17(7-8-21(19)24-22)16-5-3-2-4-6-16;1-15-7-8-20-18(11-15)12-19(25)14-22(24-20)17-9-10-23-21(13-17)16-5-3-2-4-6-16;1-13-8-15(6-7-23-13)20-11-18(26)10-17-9-14(2-4-19(17)25-20)16-3-5-21(22)24-12-16/h3-11H,12-13H2,1-2H3;4-11,13H,12,14H2,1-3H3;3-11H,12-13H2,1-2H3;2-12H,13-14H2,1H3;2-11,13H,12,14H2,1H3;2-9,12H,10-11H2,1H3
• InChIKey: RAQFEQNWVGWYIF-UHFFFAOYSA-N
• XLogP: 30.92
• TPSA: 276.04 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2212.83
LogP ≤ 5	30.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(6-bromo-3-pyridinyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(4-chloro-2-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(3-methoxy-4-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-methyl-2-(2-phenyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;2-(2-methyl-4-pyridinyl)-7-[4-methyl-2-(trifluoromethyl)phenyl]-3,5-dihydro-1-benzazepin-4-one;2-(2-methyl-4-pyridinyl)-7-phenyl-3,5-dihydro-1-benzazepin-4-one?

The IUPAC name of 7-(6-bromo-3-pyridinyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(4-chloro-2-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(3-methoxy-4-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-methyl-2-(2-phenyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;2-(2-methyl-4-pyridinyl)-7-[4-methyl-2-(trifluoromethyl)phenyl]-3,5-dihydro-1-benzazepin-4-one;2-(2-methyl-4-pyridinyl)-7-phenyl-3,5-dihydro-1-benzazepin-4-one (CID 160571738) is 7-(6-bromo-3-pyridinyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(4-chloro-2-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(3-methoxy-4-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-methyl-2-(2-phenyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;2-(2-methyl-4-pyridinyl)-7-[4-methyl-2-(trifluoromethyl)phenyl]-3,5-dihydro-1-benzazepin-4-one;2-(2-methyl-4-pyridinyl)-7-phenyl-3,5-dihydro-1-benzazepin-4-one.

What is the SMILES notation for 7-(6-bromo-3-pyridinyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(4-chloro-2-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(3-methoxy-4-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-methyl-2-(2-phenyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;2-(2-methyl-4-pyridinyl)-7-[4-methyl-2-(trifluoromethyl)phenyl]-3,5-dihydro-1-benzazepin-4-one;2-(2-methyl-4-pyridinyl)-7-phenyl-3,5-dihydro-1-benzazepin-4-one?

The canonical SMILES for 7-(6-bromo-3-pyridinyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(4-chloro-2-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(3-methoxy-4-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-methyl-2-(2-phenyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;2-(2-methyl-4-pyridinyl)-7-[4-methyl-2-(trifluoromethyl)phenyl]-3,5-dihydro-1-benzazepin-4-one;2-(2-methyl-4-pyridinyl)-7-phenyl-3,5-dihydro-1-benzazepin-4-one is COc1cc(-c2ccc3c(c2)CC(=O)CC(c2ccnc(C)c2)=N3)ccc1C.Cc1cc(C2=Nc3ccc(-c4ccc(Br)nc4)cc3CC(=O)C2)ccn1.Cc1cc(C2=Nc3ccc(-c4ccc(Cl)cc4C)cc3CC(=O)C2)ccn1.Cc1cc(C2=Nc3ccc(-c4ccccc4)cc3CC(=O)C2)ccn1.Cc1ccc(-c2ccc3c(c2)CC(=O)CC(c2ccnc(C)c2)=N3)c(C(F)(F)F)c1.Cc1ccc2c(c1)CC(=O)CC(c1ccnc(-c3ccccc3)c1)=N2.

What is the InChIKey of 7-(6-bromo-3-pyridinyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(4-chloro-2-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(3-methoxy-4-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-methyl-2-(2-phenyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;2-(2-methyl-4-pyridinyl)-7-[4-methyl-2-(trifluoromethyl)phenyl]-3,5-dihydro-1-benzazepin-4-one;2-(2-methyl-4-pyridinyl)-7-phenyl-3,5-dihydro-1-benzazepin-4-one?

The InChIKey is RAQFEQNWVGWYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N2O.C24H22N2O2.C23H19ClN2O.2C22H18N2O.C21H16BrN3O/c1-14-3-5-20(21(9-14)24(25,26)27)16-4-6-22-18(11-16)12-19(30)13-23(29-22)17-7-8-28-15(2)10-17;1-15-4-5-18(13-24(15)28-3)17-6-7-22-20(11-17)12-21(27)14-23(26-22)19-8-9-25-16(2)10-19;1-14-9-19(24)4-5-21(14)16-3-6-22-18(11-16)12-20(27)13-23(26-22)17-7-8-25-15(2)10-17;1-15-11-18(9-10-23-15)22-14-20(25)13-19-12-17(7-8-21(19)24-22)16-5-3-2-4-6-16;1-15-7-8-20-18(11-15)12-19(25)14-22(24-20)17-9-10-23-21(13-17)16-5-3-2-4-6-16;1-13-8-15(6-7-23-13)20-11-18(26)10-17-9-14(2-4-19(17)25-20)16-3-5-21(22)24-12-16/h3-11H,12-13H2,1-2H3;4-11,13H,12,14H2,1-3H3;3-11H,12-13H2,1-2H3;2-12H,13-14H2,1H3;2-11,13H,12,14H2,1H3;2-9,12H,10-11H2,1H3.

What are the key properties of 7-(6-bromo-3-pyridinyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(4-chloro-2-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(3-methoxy-4-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-methyl-2-(2-phenyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;2-(2-methyl-4-pyridinyl)-7-[4-methyl-2-(trifluoromethyl)phenyl]-3,5-dihydro-1-benzazepin-4-one;2-(2-methyl-4-pyridinyl)-7-phenyl-3,5-dihydro-1-benzazepin-4-one?

7-(6-bromo-3-pyridinyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(4-chloro-2-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(3-methoxy-4-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-methyl-2-(2-phenyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;2-(2-methyl-4-pyridinyl)-7-[4-methyl-2-(trifluoromethyl)phenyl]-3,5-dihydro-1-benzazepin-4-one;2-(2-methyl-4-pyridinyl)-7-phenyl-3,5-dihydro-1-benzazepin-4-one has a molecular weight of 2212.83 g/mol, XLogP of 30.92, 13 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(6-bromo-3-pyridinyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(4-chloro-2-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(3-methoxy-4-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-methyl-2-(2-phenyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;2-(2-methyl-4-pyridinyl)-7-[4-methyl-2-(trifluoromethyl)phenyl]-3,5-dihydro-1-benzazepin-4-one;2-(2-methyl-4-pyridinyl)-7-phenyl-3,5-dihydro-1-benzazepin-4-one is sourced from PubChem (CID 160571738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).