2-[2-fluoro-4-(2-piperidin-1-ylsulfonylphenyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine

C23H21FN4O2S — CID 90314940

IUPAC2-[2-fluoro-4-(2-piperidin-1-ylsulfonylphenyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine
SMILESO=S(=O)(c1ccccc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1)N1CCCCC1
InChIInChI=1S/C23H21FN4O2S/c24-19-14-16(8-9-18(19)21-15-26-23-20(27-21)10-11-25-23)17-6-2-3-7-22(17)31(29,30)28-12-4-1-5-13-28/h2-3,6-11,14-15H,1,4-5,12-13H2,(H,25,26)
InChIKeyQXHWGIGSZUSWBA-UHFFFAOYSA-N
MW436.51 g/mol
LogP4.61
Rot. Bonds4

About 2-[2-fluoro-4-(2-piperidin-1-ylsulfonylphenyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine

2-[2-fluoro-4-(2-piperidin-1-ylsulfonylphenyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 90314940) has the molecular formula C23H21FN4O2S and a molecular weight of 436.51 g/mol. Its IUPAC name is 2-[2-fluoro-4-(2-piperidin-1-ylsulfonylphenyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name2-[2-fluoro-4-(2-piperidin-1-ylsulfonylphenyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine
PubChem CID90314940
Molecular FormulaC23H21FN4O2S
Molecular Weight436.51 g/mol
Exact Mass436.14
IUPAC Name2-[2-fluoro-4-(2-piperidin-1-ylsulfonylphenyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine
SMILESO=S(=O)(c1ccccc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1)N1CCCCC1
InChIInChI=1S/C23H21FN4O2S/c24-19-14-16(8-9-18(19)21-15-26-23-20(27-21)10-11-25-23)17-6-2-3-7-22(17)31(29,30)28-12-4-1-5-13-28/h2-3,6-11,14-15H,1,4-5,12-13H2,(H,25,26)
InChIKeyQXHWGIGSZUSWBA-UHFFFAOYSA-N
XLogP4.61
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 54.61
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-piperidin-1-ylsulfonylphenyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 2-[2-fluoro-4-(2-piperidin-1-ylsulfonylphenyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine (CID 90314940) is 2-[2-fluoro-4-(2-piperidin-1-ylsulfonylphenyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 2-[2-fluoro-4-(2-piperidin-1-ylsulfonylphenyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 2-[2-fluoro-4-(2-piperidin-1-ylsulfonylphenyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine is O=S(=O)(c1ccccc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1)N1CCCCC1.
What is the InChIKey of 2-[2-fluoro-4-(2-piperidin-1-ylsulfonylphenyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is QXHWGIGSZUSWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2S/c24-19-14-16(8-9-18(19)21-15-26-23-20(27-21)10-11-25-23)17-6-2-3-7-22(17)31(29,30)28-12-4-1-5-13-28/h2-3,6-11,14-15H,1,4-5,12-13H2,(H,25,26).
What are the key properties of 2-[2-fluoro-4-(2-piperidin-1-ylsulfonylphenyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine?
2-[2-fluoro-4-(2-piperidin-1-ylsulfonylphenyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 436.51 g/mol, XLogP of 4.61, 4 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-piperidin-1-ylsulfonylphenyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 90314940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).