7-fluoro-3-[4-(3-hydroxypentan-3-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one

C18H19FN2O2 — CID 71765089

IUPAC7-fluoro-3-[4-(3-hydroxypentan-3-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCCC(O)(CC)c1ccc(-c2cn3cc(F)cc3c(=O)[nH]2)cc1
InChIInChI=1S/C18H19FN2O2/c1-3-18(23,4-2)13-7-5-12(6-8-13)15-11-21-10-14(19)9-16(21)17(22)20-15/h5-11,23H,3-4H2,1-2H3,(H,20,22)
InChIKeyLVVDOVZPUMOCFU-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.44
Rot. Bonds4

About 7-fluoro-3-[4-(3-hydroxypentan-3-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one

7-fluoro-3-[4-(3-hydroxypentan-3-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 71765089) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 7-fluoro-3-[4-(3-hydroxypentan-3-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name7-fluoro-3-[4-(3-hydroxypentan-3-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID71765089
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name7-fluoro-3-[4-(3-hydroxypentan-3-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCCC(O)(CC)c1ccc(-c2cn3cc(F)cc3c(=O)[nH]2)cc1
InChIInChI=1S/C18H19FN2O2/c1-3-18(23,4-2)13-7-5-12(6-8-13)15-11-21-10-14(19)9-16(21)17(22)20-15/h5-11,23H,3-4H2,1-2H3,(H,20,22)
InChIKeyLVVDOVZPUMOCFU-UHFFFAOYSA-N
XLogP3.44
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[4-(3-hydroxypentan-3-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 7-fluoro-3-[4-(3-hydroxypentan-3-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 71765089) is 7-fluoro-3-[4-(3-hydroxypentan-3-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 7-fluoro-3-[4-(3-hydroxypentan-3-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 7-fluoro-3-[4-(3-hydroxypentan-3-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one is CCC(O)(CC)c1ccc(-c2cn3cc(F)cc3c(=O)[nH]2)cc1.
What is the InChIKey of 7-fluoro-3-[4-(3-hydroxypentan-3-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is LVVDOVZPUMOCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-3-18(23,4-2)13-7-5-12(6-8-13)15-11-21-10-14(19)9-16(21)17(22)20-15/h5-11,23H,3-4H2,1-2H3,(H,20,22).
What are the key properties of 7-fluoro-3-[4-(3-hydroxypentan-3-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
7-fluoro-3-[4-(3-hydroxypentan-3-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 314.36 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[4-(3-hydroxypentan-3-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 71765089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).