2-[2-fluoro-4-[2-(2-methylpropoxy)-3-pyridinyl]phenyl]-5H-pyrrolo[2,3-b]pyrazine

C21H19FN4O — CID 90314063

IUPAC2-[2-fluoro-4-[2-(2-methylpropoxy)-3-pyridinyl]phenyl]-5H-pyrrolo[2,3-b]pyrazine
SMILESCC(C)COc1ncccc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1
InChIInChI=1S/C21H19FN4O/c1-13(2)12-27-21-15(4-3-8-24-21)14-5-6-16(17(22)10-14)19-11-25-20-18(26-19)7-9-23-20/h3-11,13H,12H2,1-2H3,(H,23,25)
InChIKeyREZRZRNDKLJZEX-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.86
Rot. Bonds5

About 2-[2-fluoro-4-[2-(2-methylpropoxy)-3-pyridinyl]phenyl]-5H-pyrrolo[2,3-b]pyrazine

2-[2-fluoro-4-[2-(2-methylpropoxy)-3-pyridinyl]phenyl]-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 90314063) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-[2-fluoro-4-[2-(2-methylpropoxy)-3-pyridinyl]phenyl]-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name2-[2-fluoro-4-[2-(2-methylpropoxy)-3-pyridinyl]phenyl]-5H-pyrrolo[2,3-b]pyrazine
PubChem CID90314063
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC Name2-[2-fluoro-4-[2-(2-methylpropoxy)-3-pyridinyl]phenyl]-5H-pyrrolo[2,3-b]pyrazine
SMILESCC(C)COc1ncccc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1
InChIInChI=1S/C21H19FN4O/c1-13(2)12-27-21-15(4-3-8-24-21)14-5-6-16(17(22)10-14)19-11-25-20-18(26-19)7-9-23-20/h3-11,13H,12H2,1-2H3,(H,23,25)
InChIKeyREZRZRNDKLJZEX-UHFFFAOYSA-N
XLogP4.86
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[2-(2-methylpropoxy)-3-pyridinyl]phenyl]-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 2-[2-fluoro-4-[2-(2-methylpropoxy)-3-pyridinyl]phenyl]-5H-pyrrolo[2,3-b]pyrazine (CID 90314063) is 2-[2-fluoro-4-[2-(2-methylpropoxy)-3-pyridinyl]phenyl]-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 2-[2-fluoro-4-[2-(2-methylpropoxy)-3-pyridinyl]phenyl]-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 2-[2-fluoro-4-[2-(2-methylpropoxy)-3-pyridinyl]phenyl]-5H-pyrrolo[2,3-b]pyrazine is CC(C)COc1ncccc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1.
What is the InChIKey of 2-[2-fluoro-4-[2-(2-methylpropoxy)-3-pyridinyl]phenyl]-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is REZRZRNDKLJZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O/c1-13(2)12-27-21-15(4-3-8-24-21)14-5-6-16(17(22)10-14)19-11-25-20-18(26-19)7-9-23-20/h3-11,13H,12H2,1-2H3,(H,23,25).
What are the key properties of 2-[2-fluoro-4-[2-(2-methylpropoxy)-3-pyridinyl]phenyl]-5H-pyrrolo[2,3-b]pyrazine?
2-[2-fluoro-4-[2-(2-methylpropoxy)-3-pyridinyl]phenyl]-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 362.41 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[2-(2-methylpropoxy)-3-pyridinyl]phenyl]-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 90314063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).