(6R)-6-[(3-fluorophenyl)methoxy]-4-(5-methylpyrazine-2-carbonyl)-1-(2-phenylethyl)-1,4-diazepan-2-one

C26H27FN4O3 — CID 26233712

About (6R)-6-[(3-fluorophenyl)methoxy]-4-(5-methylpyrazine-2-carbonyl)-1-(2-phenylethyl)-1,4-diazepan-2-one

(6R)-6-[(3-fluorophenyl)methoxy]-4-(5-methylpyrazine-2-carbonyl)-1-(2-phenylethyl)-1,4-diazepan-2-one (PubChem CID 26233712) has the molecular formula C26H27FN4O3 and a molecular weight of 462.53 g/mol. Its IUPAC name is (6R)-6-[(3-fluorophenyl)methoxy]-4-(5-methylpyrazine-2-carbonyl)-1-(2-phenylethyl)-1,4-diazepan-2-one.

Molecular Properties

• Compound Name: (6R)-6-[(3-fluorophenyl)methoxy]-4-(5-methylpyrazine-2-carbonyl)-1-(2-phenylethyl)-1,4-diazepan-2-one
• PubChem CID: 26233712
• Molecular Formula: C26H27FN4O3
• Molecular Weight: 462.53 g/mol
• Exact Mass: 462.21
• IUPAC Name: (6R)-6-[(3-fluorophenyl)methoxy]-4-(5-methylpyrazine-2-carbonyl)-1-(2-phenylethyl)-1,4-diazepan-2-one
• SMILES: Cc1cnc(C(=O)N2CC(=O)N(CCc3ccccc3)C[C@@H](OCc3cccc(F)c3)C2)cn1
• InChI: InChI=1S/C26H27FN4O3/c1-19-13-29-24(14-28-19)26(33)31-16-23(34-18-21-8-5-9-22(27)12-21)15-30(25(32)17-31)11-10-20-6-3-2-4-7-20/h2-9,12-14,23H,10-11,15-18H2,1H3/t23-/m1/s1
• InChIKey: RUZKSZZWHGGYQS-HSZRJFAPSA-N
• XLogP: 3.04
• TPSA: 75.63 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.53
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (6R)-6-[(3-fluorophenyl)methoxy]-4-(5-methylpyrazine-2-carbonyl)-1-(2-phenylethyl)-1,4-diazepan-2-one?

The IUPAC name of (6R)-6-[(3-fluorophenyl)methoxy]-4-(5-methylpyrazine-2-carbonyl)-1-(2-phenylethyl)-1,4-diazepan-2-one (CID 26233712) is (6R)-6-[(3-fluorophenyl)methoxy]-4-(5-methylpyrazine-2-carbonyl)-1-(2-phenylethyl)-1,4-diazepan-2-one.

What is the SMILES notation for (6R)-6-[(3-fluorophenyl)methoxy]-4-(5-methylpyrazine-2-carbonyl)-1-(2-phenylethyl)-1,4-diazepan-2-one?

The canonical SMILES for (6R)-6-[(3-fluorophenyl)methoxy]-4-(5-methylpyrazine-2-carbonyl)-1-(2-phenylethyl)-1,4-diazepan-2-one is Cc1cnc(C(=O)N2CC(=O)N(CCc3ccccc3)C[C@@H](OCc3cccc(F)c3)C2)cn1.

What is the InChIKey of (6R)-6-[(3-fluorophenyl)methoxy]-4-(5-methylpyrazine-2-carbonyl)-1-(2-phenylethyl)-1,4-diazepan-2-one?

The InChIKey is RUZKSZZWHGGYQS-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H27FN4O3/c1-19-13-29-24(14-28-19)26(33)31-16-23(34-18-21-8-5-9-22(27)12-21)15-30(25(32)17-31)11-10-20-6-3-2-4-7-20/h2-9,12-14,23H,10-11,15-18H2,1H3/t23-/m1/s1.

What are the key properties of (6R)-6-[(3-fluorophenyl)methoxy]-4-(5-methylpyrazine-2-carbonyl)-1-(2-phenylethyl)-1,4-diazepan-2-one?

(6R)-6-[(3-fluorophenyl)methoxy]-4-(5-methylpyrazine-2-carbonyl)-1-(2-phenylethyl)-1,4-diazepan-2-one has a molecular weight of 462.53 g/mol, XLogP of 3.04, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-6-[(3-fluorophenyl)methoxy]-4-(5-methylpyrazine-2-carbonyl)-1-(2-phenylethyl)-1,4-diazepan-2-one is sourced from PubChem (CID 26233712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).