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

C10H10BrFN4OS — CID 126605570

IUPAC[2-bromo-7-(propan-2-ylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
SMILESCC(C)NC(=O)c1cn(SF)c2ncc(Br)nc12
InChIInChI=1S/C10H10BrFN4OS/c1-5(2)14-10(17)6-4-16(18-12)9-8(6)15-7(11)3-13-9/h3-5H,1-2H3,(H,14,17)
InChIKeyCYBOAVPJPKQMKB-UHFFFAOYSA-N
MW333.19 g/mol
LogP2.71
Rot. Bonds3

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

[2-bromo-7-(propan-2-ylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite (PubChem CID 126605570) has the molecular formula C10H10BrFN4OS and a molecular weight of 333.19 g/mol. Its IUPAC name is [2-bromo-7-(propan-2-ylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite.

Molecular Properties

Compound Name[2-bromo-7-(propan-2-ylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
PubChem CID126605570
Molecular FormulaC10H10BrFN4OS
Molecular Weight333.19 g/mol
Exact Mass331.97
IUPAC Name[2-bromo-7-(propan-2-ylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
SMILESCC(C)NC(=O)c1cn(SF)c2ncc(Br)nc12
InChIInChI=1S/C10H10BrFN4OS/c1-5(2)14-10(17)6-4-16(18-12)9-8(6)15-7(11)3-13-9/h3-5H,1-2H3,(H,14,17)
InChIKeyCYBOAVPJPKQMKB-UHFFFAOYSA-N
XLogP2.71
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-bromo-7-(propan-2-ylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
The IUPAC name of [2-bromo-7-(propan-2-ylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite (CID 126605570) is [2-bromo-7-(propan-2-ylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite.
What is the SMILES notation for [2-bromo-7-(propan-2-ylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
The canonical SMILES for [2-bromo-7-(propan-2-ylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite is CC(C)NC(=O)c1cn(SF)c2ncc(Br)nc12.
What is the InChIKey of [2-bromo-7-(propan-2-ylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
The InChIKey is CYBOAVPJPKQMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN4OS/c1-5(2)14-10(17)6-4-16(18-12)9-8(6)15-7(11)3-13-9/h3-5H,1-2H3,(H,14,17).
What are the key properties of [2-bromo-7-(propan-2-ylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
[2-bromo-7-(propan-2-ylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite has a molecular weight of 333.19 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-7-(propan-2-ylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite is sourced from PubChem (CID 126605570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).