[2-amino-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite

C11H13FN4OS — CID 143854088

IUPAC[2-amino-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
SMILESCC(C)(C)C(=O)c1cn(SF)c2ncc(N)nc12
InChIInChI=1S/C11H13FN4OS/c1-11(2,3)9(17)6-5-16(18-12)10-8(6)15-7(13)4-14-10/h4-5H,1-3H3,(H2,13,15)
InChIKeyGMBLGOOBLHQMSY-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.62
Rot. Bonds2

About [2-amino-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite

[2-amino-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite (PubChem CID 143854088) has the molecular formula C11H13FN4OS and a molecular weight of 268.32 g/mol. Its IUPAC name is [2-amino-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite.

Molecular Properties

Compound Name[2-amino-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
PubChem CID143854088
Molecular FormulaC11H13FN4OS
Molecular Weight268.32 g/mol
Exact Mass268.08
IUPAC Name[2-amino-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
SMILESCC(C)(C)C(=O)c1cn(SF)c2ncc(N)nc12
InChIInChI=1S/C11H13FN4OS/c1-11(2,3)9(17)6-5-16(18-12)10-8(6)15-7(13)4-14-10/h4-5H,1-3H3,(H2,13,15)
InChIKeyGMBLGOOBLHQMSY-UHFFFAOYSA-N
XLogP2.62
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-amino-7-(2,2-dimethylpropanoyl)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

Related Compounds

(4-Amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-[6-(methylamino)pyrazin-2-yl]methanone
CID 45139232
[7-(Ethylcarbamoyl)-2-methylpyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
CID 126605734
[2-Bromo-7-(tert-butylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
CID 126606144
1-[2-(2-fluoroanilino)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one
CID 141348256
1-[2-(3-fluoroanilino)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one
CID 141348263
[2-Bromo-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
CID 143853738
[7-(2,2-dimethylpropanoyl)-2-[(3E)-penta-1,3-dien-2-yl]pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
CID 143853906
[7-(2,2-Dimethylpropanoyl)-2-(2-methylimidazol-1-yl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
CID 143854061
[2-[Cyclopentyl(methyl)amino]-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
CID 143854087
[2-(Benzhydrylideneamino)-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
CID 143854093
[2-(Cyclohexylcarbamoylamino)-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
CID 143854095
[6-(4-Acetylphenyl)-2-amino-7-ethylpyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
CID 144197075

Frequently Asked Questions

What is the IUPAC name of [2-amino-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
The IUPAC name of [2-amino-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite (CID 143854088) is [2-amino-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite.
What is the SMILES notation for [2-amino-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
The canonical SMILES for [2-amino-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite is CC(C)(C)C(=O)c1cn(SF)c2ncc(N)nc12.
What is the InChIKey of [2-amino-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
The InChIKey is GMBLGOOBLHQMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4OS/c1-11(2,3)9(17)6-5-16(18-12)10-8(6)15-7(13)4-14-10/h4-5H,1-3H3,(H2,13,15).
What are the key properties of [2-amino-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
[2-amino-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite has a molecular weight of 268.32 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite is sourced from PubChem (CID 143854088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).