[2-bromo-7-(tert-butylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite

C11H12BrFN4OS — CID 126606144

IUPAC[2-bromo-7-(tert-butylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
SMILESCC(C)(C)NC(=O)c1cn(SF)c2ncc(Br)nc12
InChIInChI=1S/C11H12BrFN4OS/c1-11(2,3)16-10(18)6-5-17(19-13)9-8(6)15-7(12)4-14-9/h4-5H,1-3H3,(H,16,18)
InChIKeyNQYFQEHBKOITJJ-UHFFFAOYSA-N
MW347.21 g/mol
LogP3.10
Rot. Bonds2

About [2-bromo-7-(tert-butylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite

[2-bromo-7-(tert-butylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite (PubChem CID 126606144) has the molecular formula C11H12BrFN4OS and a molecular weight of 347.21 g/mol. Its IUPAC name is [2-bromo-7-(tert-butylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite.

Molecular Properties

Compound Name[2-bromo-7-(tert-butylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
PubChem CID126606144
Molecular FormulaC11H12BrFN4OS
Molecular Weight347.21 g/mol
Exact Mass345.99
IUPAC Name[2-bromo-7-(tert-butylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
SMILESCC(C)(C)NC(=O)c1cn(SF)c2ncc(Br)nc12
InChIInChI=1S/C11H12BrFN4OS/c1-11(2,3)16-10(18)6-5-17(19-13)9-8(6)15-7(12)4-14-9/h4-5H,1-3H3,(H,16,18)
InChIKeyNQYFQEHBKOITJJ-UHFFFAOYSA-N
XLogP3.10
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-bromo-7-(tert-butylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite 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 [2-bromo-7-(tert-butylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
The IUPAC name of [2-bromo-7-(tert-butylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite (CID 126606144) is [2-bromo-7-(tert-butylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite.
What is the SMILES notation for [2-bromo-7-(tert-butylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
The canonical SMILES for [2-bromo-7-(tert-butylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite is CC(C)(C)NC(=O)c1cn(SF)c2ncc(Br)nc12.
What is the InChIKey of [2-bromo-7-(tert-butylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
The InChIKey is NQYFQEHBKOITJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN4OS/c1-11(2,3)16-10(18)6-5-17(19-13)9-8(6)15-7(12)4-14-9/h4-5H,1-3H3,(H,16,18).
What are the key properties of [2-bromo-7-(tert-butylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
[2-bromo-7-(tert-butylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite has a molecular weight of 347.21 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-7-(tert-butylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite is sourced from PubChem (CID 126606144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).