5-tert-butyl-7-[(4-fluorophenyl)methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

C17H20FN3O — CID 24772321

IUPAC5-tert-butyl-7-[(4-fluorophenyl)methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCC(C)(C)C1C(=O)N(Cc2ccc(F)cc2)Cc2cncn21
InChIInChI=1S/C17H20FN3O/c1-17(2,3)15-16(22)20(10-14-8-19-11-21(14)15)9-12-4-6-13(18)7-5-12/h4-8,11,15H,9-10H2,1-3H3
InChIKeyDGNARKBNDIDZPP-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.15
Rot. Bonds2

About 5-tert-butyl-7-[(4-fluorophenyl)methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

5-tert-butyl-7-[(4-fluorophenyl)methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 24772321) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is 5-tert-butyl-7-[(4-fluorophenyl)methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

Molecular Properties

Compound Name5-tert-butyl-7-[(4-fluorophenyl)methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
PubChem CID24772321
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name5-tert-butyl-7-[(4-fluorophenyl)methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCC(C)(C)C1C(=O)N(Cc2ccc(F)cc2)Cc2cncn21
InChIInChI=1S/C17H20FN3O/c1-17(2,3)15-16(22)20(10-14-8-19-11-21(14)15)9-12-4-6-13(18)7-5-12/h4-8,11,15H,9-10H2,1-3H3
InChIKeyDGNARKBNDIDZPP-UHFFFAOYSA-N
XLogP3.15
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-7-[(4-fluorophenyl)methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The IUPAC name of 5-tert-butyl-7-[(4-fluorophenyl)methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 24772321) is 5-tert-butyl-7-[(4-fluorophenyl)methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.
What is the SMILES notation for 5-tert-butyl-7-[(4-fluorophenyl)methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The canonical SMILES for 5-tert-butyl-7-[(4-fluorophenyl)methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is CC(C)(C)C1C(=O)N(Cc2ccc(F)cc2)Cc2cncn21.
What is the InChIKey of 5-tert-butyl-7-[(4-fluorophenyl)methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The InChIKey is DGNARKBNDIDZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-17(2,3)15-16(22)20(10-14-8-19-11-21(14)15)9-12-4-6-13(18)7-5-12/h4-8,11,15H,9-10H2,1-3H3.
What are the key properties of 5-tert-butyl-7-[(4-fluorophenyl)methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
5-tert-butyl-7-[(4-fluorophenyl)methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one has a molecular weight of 301.37 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-7-[(4-fluorophenyl)methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 24772321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).