[2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone

C23H23FN4O2 — CID 127251451

About [2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone

[2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone (PubChem CID 127251451) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is [2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

• Compound Name: [2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone
• PubChem CID: 127251451
• Molecular Formula: C23H23FN4O2
• Molecular Weight: 406.46 g/mol
• Exact Mass: 406.18
• IUPAC Name: [2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone
• SMILES: Cc1cnc(C(=O)N2CCOC(c3cc(Cc4cccc(F)c4)cc(C)n3)C2)cn1
• InChI: InChI=1S/C23H23FN4O2/c1-15-8-18(9-17-4-3-5-19(24)10-17)11-20(27-15)22-14-28(6-7-30-22)23(29)21-13-25-16(2)12-26-21/h3-5,8,10-13,22H,6-7,9,14H2,1-2H3
• InChIKey: DUQMAUHUZQWOQB-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 68.21 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.46
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone?

The IUPAC name of [2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone (CID 127251451) is [2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone.

What is the SMILES notation for [2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone?

The canonical SMILES for [2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone is Cc1cnc(C(=O)N2CCOC(c3cc(Cc4cccc(F)c4)cc(C)n3)C2)cn1.

What is the InChIKey of [2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone?

The InChIKey is DUQMAUHUZQWOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-15-8-18(9-17-4-3-5-19(24)10-17)11-20(27-15)22-14-28(6-7-30-22)23(29)21-13-25-16(2)12-26-21/h3-5,8,10-13,22H,6-7,9,14H2,1-2H3.

What are the key properties of [2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone?

[2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone has a molecular weight of 406.46 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 127251451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).