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

C18H17FN2O2 — CID 71765182

IUPAC7-fluoro-3-[4-(1-hydroxycyclopentyl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESO=c1[nH]c(-c2ccc(C3(O)CCCC3)cc2)cn2cc(F)cc12
InChIInChI=1S/C18H17FN2O2/c19-14-9-16-17(22)20-15(11-21(16)10-14)12-3-5-13(6-4-12)18(23)7-1-2-8-18/h3-6,9-11,23H,1-2,7-8H2,(H,20,22)
InChIKeyFKUJVMLQFIGMBZ-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.20
Rot. Bonds2

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

7-fluoro-3-[4-(1-hydroxycyclopentyl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 71765182) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 7-fluoro-3-[4-(1-hydroxycyclopentyl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name7-fluoro-3-[4-(1-hydroxycyclopentyl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID71765182
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name7-fluoro-3-[4-(1-hydroxycyclopentyl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESO=c1[nH]c(-c2ccc(C3(O)CCCC3)cc2)cn2cc(F)cc12
InChIInChI=1S/C18H17FN2O2/c19-14-9-16-17(22)20-15(11-21(16)10-14)12-3-5-13(6-4-12)18(23)7-1-2-8-18/h3-6,9-11,23H,1-2,7-8H2,(H,20,22)
InChIKeyFKUJVMLQFIGMBZ-UHFFFAOYSA-N
XLogP3.20
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.20
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-(1-hydroxycyclopentyl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 7-fluoro-3-[4-(1-hydroxycyclopentyl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 71765182) is 7-fluoro-3-[4-(1-hydroxycyclopentyl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 7-fluoro-3-[4-(1-hydroxycyclopentyl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 7-fluoro-3-[4-(1-hydroxycyclopentyl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one is O=c1[nH]c(-c2ccc(C3(O)CCCC3)cc2)cn2cc(F)cc12.
What is the InChIKey of 7-fluoro-3-[4-(1-hydroxycyclopentyl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is FKUJVMLQFIGMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c19-14-9-16-17(22)20-15(11-21(16)10-14)12-3-5-13(6-4-12)18(23)7-1-2-8-18/h3-6,9-11,23H,1-2,7-8H2,(H,20,22).
What are the key properties of 7-fluoro-3-[4-(1-hydroxycyclopentyl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
7-fluoro-3-[4-(1-hydroxycyclopentyl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 312.34 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[4-(1-hydroxycyclopentyl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 71765182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).