[7-(2,2-dimethylpropanoyl)-2-(2-methylimidazol-1-yl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite

C15H16FN5OS — CID 143854061

IUPAC[7-(2,2-dimethylpropanoyl)-2-(2-methylimidazol-1-yl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
SMILESCc1nccn1-c1cnc2c(n1)c(C(=O)C(C)(C)C)cn2SF
InChIInChI=1S/C15H16FN5OS/c1-9-17-5-6-20(9)11-7-18-14-12(19-11)10(8-21(14)23-16)13(22)15(2,3)4/h5-8H,1-4H3
InChIKeyZBOXALIGVAXWRY-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.54
Rot. Bonds3

About [7-(2,2-dimethylpropanoyl)-2-(2-methylimidazol-1-yl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite

[7-(2,2-dimethylpropanoyl)-2-(2-methylimidazol-1-yl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite (PubChem CID 143854061) has the molecular formula C15H16FN5OS and a molecular weight of 333.39 g/mol. Its IUPAC name is [7-(2,2-dimethylpropanoyl)-2-(2-methylimidazol-1-yl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite.

Molecular Properties

Compound Name[7-(2,2-dimethylpropanoyl)-2-(2-methylimidazol-1-yl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
PubChem CID143854061
Molecular FormulaC15H16FN5OS
Molecular Weight333.39 g/mol
Exact Mass333.11
IUPAC Name[7-(2,2-dimethylpropanoyl)-2-(2-methylimidazol-1-yl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
SMILESCc1nccn1-c1cnc2c(n1)c(C(=O)C(C)(C)C)cn2SF
InChIInChI=1S/C15H16FN5OS/c1-9-17-5-6-20(9)11-7-18-14-12(19-11)10(8-21(14)23-16)13(22)15(2,3)4/h5-8H,1-4H3
InChIKeyZBOXALIGVAXWRY-UHFFFAOYSA-N
XLogP3.54
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4-Amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-[6-(methylamino)pyrazin-2-yl]methanone
CID 45139232
2-(Benzimidazol-1-yl)-1-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)ethanone
CID 17523730
1-[2-[[2-(6-Fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-propylimidazo[4,5-b]pyridin-6-yl]ethanone
CID 20811907
1-[2-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one
CID 57829593
1-[2-[2-(3,3-difluoropyrrolidin-1-yl)pyridin-4-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one
CID 57829625
1-[2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one
CID 57829648
1-[3-Ethyl-2-[[2-[6-(trifluoromethyl)pyridin-2-yl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridin-6-yl]ethanone
CID 59001157
1-[2-[2-(3-fluoropyrrolidin-1-yl)-4-pyridinyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one
CID 67201577
7-[(2E,4Z)-7-fluoro-6-[methyl(propyl)sulfinamoyl]iminoocta-2,4-dienoyl]-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 123597423
[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
[2-[Cyclopentyl(methyl)amino]-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
CID 143854087

Frequently Asked Questions

What is the IUPAC name of [7-(2,2-dimethylpropanoyl)-2-(2-methylimidazol-1-yl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
The IUPAC name of [7-(2,2-dimethylpropanoyl)-2-(2-methylimidazol-1-yl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite (CID 143854061) is [7-(2,2-dimethylpropanoyl)-2-(2-methylimidazol-1-yl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite.
What is the SMILES notation for [7-(2,2-dimethylpropanoyl)-2-(2-methylimidazol-1-yl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
The canonical SMILES for [7-(2,2-dimethylpropanoyl)-2-(2-methylimidazol-1-yl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite is Cc1nccn1-c1cnc2c(n1)c(C(=O)C(C)(C)C)cn2SF.
What is the InChIKey of [7-(2,2-dimethylpropanoyl)-2-(2-methylimidazol-1-yl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
The InChIKey is ZBOXALIGVAXWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5OS/c1-9-17-5-6-20(9)11-7-18-14-12(19-11)10(8-21(14)23-16)13(22)15(2,3)4/h5-8H,1-4H3.
What are the key properties of [7-(2,2-dimethylpropanoyl)-2-(2-methylimidazol-1-yl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
[7-(2,2-dimethylpropanoyl)-2-(2-methylimidazol-1-yl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite has a molecular weight of 333.39 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2,2-dimethylpropanoyl)-2-(2-methylimidazol-1-yl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite is sourced from PubChem (CID 143854061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).