4-[2-[3-fluoro-4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]phenyl]sulfonylmorpholine

C22H19FN4O3S — CID 90314532

IUPAC4-[2-[3-fluoro-4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccccc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1)N1CCOCC1
InChIInChI=1S/C22H19FN4O3S/c23-18-13-15(5-6-17(18)20-14-25-22-19(26-20)7-8-24-22)16-3-1-2-4-21(16)31(28,29)27-9-11-30-12-10-27/h1-8,13-14H,9-12H2,(H,24,25)
InChIKeyXKOQYOZAMKPNNW-UHFFFAOYSA-N
MW438.48 g/mol
LogP3.45
Rot. Bonds4

About 4-[2-[3-fluoro-4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]phenyl]sulfonylmorpholine

4-[2-[3-fluoro-4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]phenyl]sulfonylmorpholine (PubChem CID 90314532) has the molecular formula C22H19FN4O3S and a molecular weight of 438.48 g/mol. Its IUPAC name is 4-[2-[3-fluoro-4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[2-[3-fluoro-4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]phenyl]sulfonylmorpholine
PubChem CID90314532
Molecular FormulaC22H19FN4O3S
Molecular Weight438.48 g/mol
Exact Mass438.12
IUPAC Name4-[2-[3-fluoro-4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccccc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1)N1CCOCC1
InChIInChI=1S/C22H19FN4O3S/c23-18-13-15(5-6-17(18)20-14-25-22-19(26-20)7-8-24-22)16-3-1-2-4-21(16)31(28,29)27-9-11-30-12-10-27/h1-8,13-14H,9-12H2,(H,24,25)
InChIKeyXKOQYOZAMKPNNW-UHFFFAOYSA-N
XLogP3.45
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-[3-fluoro-4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]phenyl]sulfonylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-fluoro-4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]phenyl]sulfonylmorpholine?
The IUPAC name of 4-[2-[3-fluoro-4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]phenyl]sulfonylmorpholine (CID 90314532) is 4-[2-[3-fluoro-4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[2-[3-fluoro-4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[2-[3-fluoro-4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]phenyl]sulfonylmorpholine is O=S(=O)(c1ccccc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1)N1CCOCC1.
What is the InChIKey of 4-[2-[3-fluoro-4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]phenyl]sulfonylmorpholine?
The InChIKey is XKOQYOZAMKPNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O3S/c23-18-13-15(5-6-17(18)20-14-25-22-19(26-20)7-8-24-22)16-3-1-2-4-21(16)31(28,29)27-9-11-30-12-10-27/h1-8,13-14H,9-12H2,(H,24,25).
What are the key properties of 4-[2-[3-fluoro-4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]phenyl]sulfonylmorpholine?
4-[2-[3-fluoro-4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]phenyl]sulfonylmorpholine has a molecular weight of 438.48 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-fluoro-4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]phenyl]sulfonylmorpholine is sourced from PubChem (CID 90314532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).