6-(cycloheptylcarbamoyl)-4-oxo-5-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrazine-2-carboxylic acid

C21H24N4O4S — CID 71220152

IUPAC6-(cycloheptylcarbamoyl)-4-oxo-5-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cc2c(=O)n(CCc3cccs3)c(C(=O)NC3CCCCCC3)cn2n1
InChIInChI=1S/C21H24N4O4S/c26-19(22-14-6-3-1-2-4-7-14)18-13-25-17(12-16(23-25)21(28)29)20(27)24(18)10-9-15-8-5-11-30-15/h5,8,11-14H,1-4,6-7,9-10H2,(H,22,26)(H,28,29)
InChIKeyMYOLQQMVAHJSLF-UHFFFAOYSA-N
MW428.51 g/mol
LogP2.95
Rot. Bonds6

About 6-(cycloheptylcarbamoyl)-4-oxo-5-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrazine-2-carboxylic acid

6-(cycloheptylcarbamoyl)-4-oxo-5-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrazine-2-carboxylic acid (PubChem CID 71220152) has the molecular formula C21H24N4O4S and a molecular weight of 428.51 g/mol. Its IUPAC name is 6-(cycloheptylcarbamoyl)-4-oxo-5-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(cycloheptylcarbamoyl)-4-oxo-5-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrazine-2-carboxylic acid
PubChem CID71220152
Molecular FormulaC21H24N4O4S
Molecular Weight428.51 g/mol
Exact Mass428.15
IUPAC Name6-(cycloheptylcarbamoyl)-4-oxo-5-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cc2c(=O)n(CCc3cccs3)c(C(=O)NC3CCCCCC3)cn2n1
InChIInChI=1S/C21H24N4O4S/c26-19(22-14-6-3-1-2-4-7-14)18-13-25-17(12-16(23-25)21(28)29)20(27)24(18)10-9-15-8-5-11-30-15/h5,8,11-14H,1-4,6-7,9-10H2,(H,22,26)(H,28,29)
InChIKeyMYOLQQMVAHJSLF-UHFFFAOYSA-N
XLogP2.95
TPSA105.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-cycloheptyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 4777467
N-(cyclohexylcarbamoyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetamide
CID 47073373
N-cyclohexyl-1-oxo-6-phenyl-2-(3-phenylpropyl)pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 71219770
N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762130
N-cyclopentyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 3242425
N-cyclooctyl-2-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 37282895
N-cyclooctyl-2-thiophen-2-ylacetamide
CID 17256729
methyl (6R)-6-(cyclohexylcarbamoyl)-6-methyl-4-oxo-5-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92744654
6-methyl-4-thiomorpholin-4-yl-N-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 91908372
N-cyclobutyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 24794414
N-cyclohexyl-1-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 3514813
(6R)-6-N-cyclohexyl-5,6-dimethyl-4-oxo-2-N-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743403

Frequently Asked Questions

What is the IUPAC name of 6-(cycloheptylcarbamoyl)-4-oxo-5-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The IUPAC name of 6-(cycloheptylcarbamoyl)-4-oxo-5-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrazine-2-carboxylic acid (CID 71220152) is 6-(cycloheptylcarbamoyl)-4-oxo-5-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-(cycloheptylcarbamoyl)-4-oxo-5-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-(cycloheptylcarbamoyl)-4-oxo-5-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrazine-2-carboxylic acid is O=C(O)c1cc2c(=O)n(CCc3cccs3)c(C(=O)NC3CCCCCC3)cn2n1.
What is the InChIKey of 6-(cycloheptylcarbamoyl)-4-oxo-5-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The InChIKey is MYOLQQMVAHJSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S/c26-19(22-14-6-3-1-2-4-7-14)18-13-25-17(12-16(23-25)21(28)29)20(27)24(18)10-9-15-8-5-11-30-15/h5,8,11-14H,1-4,6-7,9-10H2,(H,22,26)(H,28,29).
What are the key properties of 6-(cycloheptylcarbamoyl)-4-oxo-5-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrazine-2-carboxylic acid?
6-(cycloheptylcarbamoyl)-4-oxo-5-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrazine-2-carboxylic acid has a molecular weight of 428.51 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cycloheptylcarbamoyl)-4-oxo-5-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrazine-2-carboxylic acid is sourced from PubChem (CID 71220152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).