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

C22H19FN4O2S — CID 90314061

IUPAC2-[2-fluoro-4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine
SMILESO=S(=O)(c1ccccc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1)N1CCCC1
InChIInChI=1S/C22H19FN4O2S/c23-18-13-15(7-8-17(18)20-14-25-22-19(26-20)9-10-24-22)16-5-1-2-6-21(16)30(28,29)27-11-3-4-12-27/h1-2,5-10,13-14H,3-4,11-12H2,(H,24,25)
InChIKeyWJCHMLSALJNQLM-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.22
Rot. Bonds4

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

2-[2-fluoro-4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 90314061) has the molecular formula C22H19FN4O2S and a molecular weight of 422.49 g/mol. Its IUPAC name is 2-[2-fluoro-4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name2-[2-fluoro-4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine
PubChem CID90314061
Molecular FormulaC22H19FN4O2S
Molecular Weight422.49 g/mol
Exact Mass422.12
IUPAC Name2-[2-fluoro-4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine
SMILESO=S(=O)(c1ccccc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1)N1CCCC1
InChIInChI=1S/C22H19FN4O2S/c23-18-13-15(7-8-17(18)20-14-25-22-19(26-20)9-10-24-22)16-5-1-2-6-21(16)30(28,29)27-11-3-4-12-27/h1-2,5-10,13-14H,3-4,11-12H2,(H,24,25)
InChIKeyWJCHMLSALJNQLM-UHFFFAOYSA-N
XLogP4.22
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.22
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-pyrrolidin-1-ylsulfonylphenyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 2-[2-fluoro-4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine (CID 90314061) is 2-[2-fluoro-4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 2-[2-fluoro-4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 2-[2-fluoro-4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine is O=S(=O)(c1ccccc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1)N1CCCC1.
What is the InChIKey of 2-[2-fluoro-4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is WJCHMLSALJNQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2S/c23-18-13-15(7-8-17(18)20-14-25-22-19(26-20)9-10-24-22)16-5-1-2-6-21(16)30(28,29)27-11-3-4-12-27/h1-2,5-10,13-14H,3-4,11-12H2,(H,24,25).
What are the key properties of 2-[2-fluoro-4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine?
2-[2-fluoro-4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 422.49 g/mol, XLogP of 4.22, 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-pyrrolidin-1-ylsulfonylphenyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 90314061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).