[2-bromo-7-(1-methoxypropan-2-ylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite

C11H12BrFN4O2S — CID 144540316

IUPAC[2-bromo-7-(1-methoxypropan-2-ylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
SMILESCOCC(C)NC(=O)c1cn(SF)c2ncc(Br)nc12
InChIInChI=1S/C11H12BrFN4O2S/c1-6(5-19-2)15-11(18)7-4-17(20-13)10-9(7)16-8(12)3-14-10/h3-4,6H,5H2,1-2H3,(H,15,18)
InChIKeyDPTNZRIKOYQLDF-UHFFFAOYSA-N
MW363.21 g/mol
LogP2.34
Rot. Bonds5

About [2-bromo-7-(1-methoxypropan-2-ylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite

[2-bromo-7-(1-methoxypropan-2-ylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite (PubChem CID 144540316) has the molecular formula C11H12BrFN4O2S and a molecular weight of 363.21 g/mol. Its IUPAC name is [2-bromo-7-(1-methoxypropan-2-ylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite.

Molecular Properties

Compound Name[2-bromo-7-(1-methoxypropan-2-ylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
PubChem CID144540316
Molecular FormulaC11H12BrFN4O2S
Molecular Weight363.21 g/mol
Exact Mass361.98
IUPAC Name[2-bromo-7-(1-methoxypropan-2-ylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
SMILESCOCC(C)NC(=O)c1cn(SF)c2ncc(Br)nc12
InChIInChI=1S/C11H12BrFN4O2S/c1-6(5-19-2)15-11(18)7-4-17(20-13)10-9(7)16-8(12)3-14-10/h3-4,6H,5H2,1-2H3,(H,15,18)
InChIKeyDPTNZRIKOYQLDF-UHFFFAOYSA-N
XLogP2.34
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-bromo-7-(1-methoxypropan-2-ylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
The IUPAC name of [2-bromo-7-(1-methoxypropan-2-ylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite (CID 144540316) is [2-bromo-7-(1-methoxypropan-2-ylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite.
What is the SMILES notation for [2-bromo-7-(1-methoxypropan-2-ylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
The canonical SMILES for [2-bromo-7-(1-methoxypropan-2-ylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite is COCC(C)NC(=O)c1cn(SF)c2ncc(Br)nc12.
What is the InChIKey of [2-bromo-7-(1-methoxypropan-2-ylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
The InChIKey is DPTNZRIKOYQLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN4O2S/c1-6(5-19-2)15-11(18)7-4-17(20-13)10-9(7)16-8(12)3-14-10/h3-4,6H,5H2,1-2H3,(H,15,18).
What are the key properties of [2-bromo-7-(1-methoxypropan-2-ylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
[2-bromo-7-(1-methoxypropan-2-ylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite has a molecular weight of 363.21 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-7-(1-methoxypropan-2-ylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite is sourced from PubChem (CID 144540316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).