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

C16H15FN2O2 — CID 71765181

IUPAC6-fluoro-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCC(C)(O)c1ccc(-c2cn3c(F)ccc3c(=O)[nH]2)cc1
InChIInChI=1S/C16H15FN2O2/c1-16(2,21)11-5-3-10(4-6-11)12-9-19-13(15(20)18-12)7-8-14(19)17/h3-9,21H,1-2H3,(H,18,20)
InChIKeyVTBFTBOYJMHXBF-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.66
Rot. Bonds2

About 6-fluoro-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one

6-fluoro-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 71765181) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 6-fluoro-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name6-fluoro-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID71765181
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name6-fluoro-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCC(C)(O)c1ccc(-c2cn3c(F)ccc3c(=O)[nH]2)cc1
InChIInChI=1S/C16H15FN2O2/c1-16(2,21)11-5-3-10(4-6-11)12-9-19-13(15(20)18-12)7-8-14(19)17/h3-9,21H,1-2H3,(H,18,20)
InChIKeyVTBFTBOYJMHXBF-UHFFFAOYSA-N
XLogP2.66
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 6-fluoro-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 71765181) is 6-fluoro-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 6-fluoro-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 6-fluoro-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one is CC(C)(O)c1ccc(-c2cn3c(F)ccc3c(=O)[nH]2)cc1.
What is the InChIKey of 6-fluoro-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is VTBFTBOYJMHXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-16(2,21)11-5-3-10(4-6-11)12-9-19-13(15(20)18-12)7-8-14(19)17/h3-9,21H,1-2H3,(H,18,20).
What are the key properties of 6-fluoro-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
6-fluoro-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 286.31 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 71765181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).