3-[(4-fluorophenyl)methylamino]-1-(4-propan-2-ylphenyl)pyrazin-2-one

C20H20FN3O — CID 20941696

IUPAC3-[(4-fluorophenyl)methylamino]-1-(4-propan-2-ylphenyl)pyrazin-2-one
SMILESCC(C)c1ccc(-n2ccnc(NCc3ccc(F)cc3)c2=O)cc1
InChIInChI=1S/C20H20FN3O/c1-14(2)16-5-9-18(10-6-16)24-12-11-22-19(20(24)25)23-13-15-3-7-17(21)8-4-15/h3-12,14H,13H2,1-2H3,(H,22,23)
InChIKeyMIZIMIIHRAZSPE-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.11
Rot. Bonds5

About 3-[(4-fluorophenyl)methylamino]-1-(4-propan-2-ylphenyl)pyrazin-2-one

3-[(4-fluorophenyl)methylamino]-1-(4-propan-2-ylphenyl)pyrazin-2-one (PubChem CID 20941696) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methylamino]-1-(4-propan-2-ylphenyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methylamino]-1-(4-propan-2-ylphenyl)pyrazin-2-one
PubChem CID20941696
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name3-[(4-fluorophenyl)methylamino]-1-(4-propan-2-ylphenyl)pyrazin-2-one
SMILESCC(C)c1ccc(-n2ccnc(NCc3ccc(F)cc3)c2=O)cc1
InChIInChI=1S/C20H20FN3O/c1-14(2)16-5-9-18(10-6-16)24-12-11-22-19(20(24)25)23-13-15-3-7-17(21)8-4-15/h3-12,14H,13H2,1-2H3,(H,22,23)
InChIKeyMIZIMIIHRAZSPE-UHFFFAOYSA-N
XLogP4.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methylamino]-1-(4-propan-2-ylphenyl)pyrazin-2-one?
The IUPAC name of 3-[(4-fluorophenyl)methylamino]-1-(4-propan-2-ylphenyl)pyrazin-2-one (CID 20941696) is 3-[(4-fluorophenyl)methylamino]-1-(4-propan-2-ylphenyl)pyrazin-2-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methylamino]-1-(4-propan-2-ylphenyl)pyrazin-2-one?
The canonical SMILES for 3-[(4-fluorophenyl)methylamino]-1-(4-propan-2-ylphenyl)pyrazin-2-one is CC(C)c1ccc(-n2ccnc(NCc3ccc(F)cc3)c2=O)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methylamino]-1-(4-propan-2-ylphenyl)pyrazin-2-one?
The InChIKey is MIZIMIIHRAZSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c1-14(2)16-5-9-18(10-6-16)24-12-11-22-19(20(24)25)23-13-15-3-7-17(21)8-4-15/h3-12,14H,13H2,1-2H3,(H,22,23).
What are the key properties of 3-[(4-fluorophenyl)methylamino]-1-(4-propan-2-ylphenyl)pyrazin-2-one?
3-[(4-fluorophenyl)methylamino]-1-(4-propan-2-ylphenyl)pyrazin-2-one has a molecular weight of 337.40 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methylamino]-1-(4-propan-2-ylphenyl)pyrazin-2-one is sourced from PubChem (CID 20941696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).