6-cyclobutyl-2-fluoro-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenol

C16H14FN3O — CID 90310620

IUPAC6-cyclobutyl-2-fluoro-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenol
SMILESOc1c(C2CCC2)ccc(-c2cnc3[nH]ccc3n2)c1F
InChIInChI=1S/C16H14FN3O/c17-14-11(5-4-10(15(14)21)9-2-1-3-9)13-8-19-16-12(20-13)6-7-18-16/h4-9,21H,1-3H2,(H,18,19)
InChIKeyOKJIOWJVDNBADF-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.74
Rot. Bonds2

About 6-cyclobutyl-2-fluoro-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenol

6-cyclobutyl-2-fluoro-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenol (PubChem CID 90310620) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 6-cyclobutyl-2-fluoro-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenol.

Molecular Properties

Compound Name6-cyclobutyl-2-fluoro-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenol
PubChem CID90310620
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name6-cyclobutyl-2-fluoro-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenol
SMILESOc1c(C2CCC2)ccc(-c2cnc3[nH]ccc3n2)c1F
InChIInChI=1S/C16H14FN3O/c17-14-11(5-4-10(15(14)21)9-2-1-3-9)13-8-19-16-12(20-13)6-7-18-16/h4-9,21H,1-3H2,(H,18,19)
InChIKeyOKJIOWJVDNBADF-UHFFFAOYSA-N
XLogP3.74
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-2-fluoro-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenol?
The IUPAC name of 6-cyclobutyl-2-fluoro-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenol (CID 90310620) is 6-cyclobutyl-2-fluoro-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenol.
What is the SMILES notation for 6-cyclobutyl-2-fluoro-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenol?
The canonical SMILES for 6-cyclobutyl-2-fluoro-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenol is Oc1c(C2CCC2)ccc(-c2cnc3[nH]ccc3n2)c1F.
What is the InChIKey of 6-cyclobutyl-2-fluoro-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenol?
The InChIKey is OKJIOWJVDNBADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c17-14-11(5-4-10(15(14)21)9-2-1-3-9)13-8-19-16-12(20-13)6-7-18-16/h4-9,21H,1-3H2,(H,18,19).
What are the key properties of 6-cyclobutyl-2-fluoro-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenol?
6-cyclobutyl-2-fluoro-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenol has a molecular weight of 283.31 g/mol, XLogP of 3.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-2-fluoro-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenol is sourced from PubChem (CID 90310620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).