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

C17H23FN4OS — CID 143854087

IUPAC[2-[cyclopentyl(methyl)amino]-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
SMILESCN(c1cnc2c(n1)c(C(=O)C(C)(C)C)cn2SF)C1CCCC1
InChIInChI=1S/C17H23FN4OS/c1-17(2,3)15(23)12-10-22(24-18)16-14(12)20-13(9-19-16)21(4)11-7-5-6-8-11/h9-11H,5-8H2,1-4H3
InChIKeyNTPAQTDHPVMXSB-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.42
Rot. Bonds4

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

[2-[cyclopentyl(methyl)amino]-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite (PubChem CID 143854087) has the molecular formula C17H23FN4OS and a molecular weight of 350.46 g/mol. Its IUPAC name is [2-[cyclopentyl(methyl)amino]-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite.

Molecular Properties

Compound Name[2-[cyclopentyl(methyl)amino]-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
PubChem CID143854087
Molecular FormulaC17H23FN4OS
Molecular Weight350.46 g/mol
Exact Mass350.16
IUPAC Name[2-[cyclopentyl(methyl)amino]-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
SMILESCN(c1cnc2c(n1)c(C(=O)C(C)(C)C)cn2SF)C1CCCC1
InChIInChI=1S/C17H23FN4OS/c1-17(2,3)15(23)12-10-22(24-18)16-14(12)20-13(9-19-16)21(4)11-7-5-6-8-11/h9-11H,5-8H2,1-4H3
InChIKeyNTPAQTDHPVMXSB-UHFFFAOYSA-N
XLogP4.42
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[cyclopentyl(methyl)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

1-[2-[cyclopentyl(methyl)amino]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;1-[2-[cyclopentyl(methyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one
CID 159696152
5-fluorosulfanyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 145183130
tert-butyl 4-[[7-(cyclobutanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-methylamino]piperidine-1-carboxylate
CID 146365561
1-[cyclopentyl(methyl)amino]isoquinoline-4-carboxylic acid
CID 106766543
2-[cycloheptyl(methyl)amino]-5-fluoropyridine-3-carboxylic acid
CID 114034377
6-[(tert-butylamino)methyl]-N-cycloheptyl-N-methylpyrazin-2-amine
CID 66457221
6-N-cyclopentyl-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717416
2-N-cyclohexyl-2-N,6-N-dimethylpyrazine-2,6-diamine
CID 80762053
6-[cycloheptyl(methyl)amino]-5-methylpyridine-3-carboxylic acid
CID 80631026
N-cyclobutyl-N,6-dimethylpyrazin-2-amine
CID 126857003
[6-[cyclohexyl(methyl)amino]pyrazin-2-yl]methanol
CID 66467743
(2-bromo-7-formylpyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite
CID 143854039

Frequently Asked Questions

What is the IUPAC name of [2-[cyclopentyl(methyl)amino]-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
The IUPAC name of [2-[cyclopentyl(methyl)amino]-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite (CID 143854087) is [2-[cyclopentyl(methyl)amino]-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite.
What is the SMILES notation for [2-[cyclopentyl(methyl)amino]-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
The canonical SMILES for [2-[cyclopentyl(methyl)amino]-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite is CN(c1cnc2c(n1)c(C(=O)C(C)(C)C)cn2SF)C1CCCC1.
What is the InChIKey of [2-[cyclopentyl(methyl)amino]-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
The InChIKey is NTPAQTDHPVMXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4OS/c1-17(2,3)15(23)12-10-22(24-18)16-14(12)20-13(9-19-16)21(4)11-7-5-6-8-11/h9-11H,5-8H2,1-4H3.
What are the key properties of [2-[cyclopentyl(methyl)amino]-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
[2-[cyclopentyl(methyl)amino]-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite has a molecular weight of 350.46 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclopentyl(methyl)amino]-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite is sourced from PubChem (CID 143854087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).