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

C18H24FN5O2S — CID 143854095

IUPAC[2-(cyclohexylcarbamoylamino)-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
SMILESCC(C)(C)C(=O)c1cn(SF)c2ncc(NC(=O)NC3CCCCC3)nc12
InChIInChI=1S/C18H24FN5O2S/c1-18(2,3)15(25)12-10-24(27-19)16-14(12)22-13(9-20-16)23-17(26)21-11-7-5-4-6-8-11/h9-11H,4-8H2,1-3H3,(H2,21,22,23,26)
InChIKeyJUNZSOQNQGMHGM-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.50
Rot. Bonds4

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

[2-(cyclohexylcarbamoylamino)-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite (PubChem CID 143854095) has the molecular formula C18H24FN5O2S and a molecular weight of 393.49 g/mol. Its IUPAC name is [2-(cyclohexylcarbamoylamino)-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite.

Molecular Properties

Compound Name[2-(cyclohexylcarbamoylamino)-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
PubChem CID143854095
Molecular FormulaC18H24FN5O2S
Molecular Weight393.49 g/mol
Exact Mass393.16
IUPAC Name[2-(cyclohexylcarbamoylamino)-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
SMILESCC(C)(C)C(=O)c1cn(SF)c2ncc(NC(=O)NC3CCCCC3)nc12
InChIInChI=1S/C18H24FN5O2S/c1-18(2,3)15(25)12-10-24(27-19)16-14(12)22-13(9-20-16)23-17(26)21-11-7-5-4-6-8-11/h9-11H,4-8H2,1-3H3,(H2,21,22,23,26)
InChIKeyJUNZSOQNQGMHGM-UHFFFAOYSA-N
XLogP4.50
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(cyclohexylcarbamoylamino)-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite with MolForge

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Related Compounds

2-Cyclopropyl-N-[(2s)-3,3-Dimethylbutan-2-Yl]-5h-Pyrrolo[2,3-B]pyrazine-7-Carboxamide
CID 54673259
N-[(1S)-1-cyclohexylethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 54673425
(E)-2-cyano-3-[4-[[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]phenyl]-N-ethylprop-2-enamide
CID 71471980
(4-Amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-[6-(methylamino)pyrazin-2-yl]methanone
CID 45139232
(E)-3-[4-[[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]phenyl]-2-isocyanoprop-2-enamide
CID 121596820
(E)-3-[4-[[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]-2-fluorophenyl]-2-isocyano-N,N-dimethylprop-2-enamide
CID 121596823
(E)-3-[4-[[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]phenyl]-N-ethyl-2-isocyanoprop-2-enamide
CID 121596827
US9617258, Example 182
CID 118135053
N-(4,4-dimethylpentan-2-yl)-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 57766830
2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((S)-3,3,3-trifluoro-1,2,2-trimethyl-propyl)-amide
CID 58522283
2-cyclopropyl-N-(4,4,4-trifluoro-3,3-dimethylbutan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 76811916
2-[2-fluoro-5-(prop-2-enoylamino)phenyl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 118641726

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylcarbamoylamino)-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
The IUPAC name of [2-(cyclohexylcarbamoylamino)-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite (CID 143854095) is [2-(cyclohexylcarbamoylamino)-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite.
What is the SMILES notation for [2-(cyclohexylcarbamoylamino)-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
The canonical SMILES for [2-(cyclohexylcarbamoylamino)-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite is CC(C)(C)C(=O)c1cn(SF)c2ncc(NC(=O)NC3CCCCC3)nc12.
What is the InChIKey of [2-(cyclohexylcarbamoylamino)-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
The InChIKey is JUNZSOQNQGMHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O2S/c1-18(2,3)15(25)12-10-24(27-19)16-14(12)22-13(9-20-16)23-17(26)21-11-7-5-4-6-8-11/h9-11H,4-8H2,1-3H3,(H2,21,22,23,26).
What are the key properties of [2-(cyclohexylcarbamoylamino)-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
[2-(cyclohexylcarbamoylamino)-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite has a molecular weight of 393.49 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylcarbamoylamino)-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite is sourced from PubChem (CID 143854095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).