4-(3-fluorophenyl)-1-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]butan-2-one

C25H25FN2O2 — CID 58190129

IUPAC4-(3-fluorophenyl)-1-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]butan-2-one
SMILESO=C(CCc1cccc(F)c1)Cc1ccc(-c2ccc(N3CCOCC3)cc2)cn1
InChIInChI=1S/C25H25FN2O2/c26-22-3-1-2-19(16-22)4-11-25(29)17-23-8-5-21(18-27-23)20-6-9-24(10-7-20)28-12-14-30-15-13-28/h1-3,5-10,16,18H,4,11-15,17H2
InChIKeyDZBXUOMWVUFRNR-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.47
Rot. Bonds7

About 4-(3-fluorophenyl)-1-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]butan-2-one

4-(3-fluorophenyl)-1-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]butan-2-one (PubChem CID 58190129) has the molecular formula C25H25FN2O2 and a molecular weight of 404.49 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-1-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]butan-2-one.

Molecular Properties

Compound Name4-(3-fluorophenyl)-1-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]butan-2-one
PubChem CID58190129
Molecular FormulaC25H25FN2O2
Molecular Weight404.49 g/mol
Exact Mass404.19
IUPAC Name4-(3-fluorophenyl)-1-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]butan-2-one
SMILESO=C(CCc1cccc(F)c1)Cc1ccc(-c2ccc(N3CCOCC3)cc2)cn1
InChIInChI=1S/C25H25FN2O2/c26-22-3-1-2-19(16-22)4-11-25(29)17-23-8-5-21(18-27-23)20-6-9-24(10-7-20)28-12-14-30-15-13-28/h1-3,5-10,16,18H,4,11-15,17H2
InChIKeyDZBXUOMWVUFRNR-UHFFFAOYSA-N
XLogP4.47
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-1-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]butan-2-one?
The IUPAC name of 4-(3-fluorophenyl)-1-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]butan-2-one (CID 58190129) is 4-(3-fluorophenyl)-1-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]butan-2-one.
What is the SMILES notation for 4-(3-fluorophenyl)-1-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]butan-2-one?
The canonical SMILES for 4-(3-fluorophenyl)-1-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]butan-2-one is O=C(CCc1cccc(F)c1)Cc1ccc(-c2ccc(N3CCOCC3)cc2)cn1.
What is the InChIKey of 4-(3-fluorophenyl)-1-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]butan-2-one?
The InChIKey is DZBXUOMWVUFRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O2/c26-22-3-1-2-19(16-22)4-11-25(29)17-23-8-5-21(18-27-23)20-6-9-24(10-7-20)28-12-14-30-15-13-28/h1-3,5-10,16,18H,4,11-15,17H2.
What are the key properties of 4-(3-fluorophenyl)-1-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]butan-2-one?
4-(3-fluorophenyl)-1-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]butan-2-one has a molecular weight of 404.49 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-1-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]butan-2-one is sourced from PubChem (CID 58190129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).