5-(2-fluoro-6-methoxyphenyl)-3-thiophen-3-yl-1H-pyrazolo[4,3-d]pyrimidine

C16H11FN4OS — CID 134326340

IUPAC5-(2-fluoro-6-methoxyphenyl)-3-thiophen-3-yl-1H-pyrazolo[4,3-d]pyrimidine
SMILESCOc1cccc(F)c1-c1ncc2[nH]nc(-c3ccsc3)c2n1
InChIInChI=1S/C16H11FN4OS/c1-22-12-4-2-3-10(17)13(12)16-18-7-11-15(19-16)14(21-20-11)9-5-6-23-8-9/h2-8H,1H3,(H,20,21)
InChIKeyGQADFGVHBYEGQA-UHFFFAOYSA-N
MW326.36 g/mol
LogP3.90
Rot. Bonds3

About 5-(2-fluoro-6-methoxyphenyl)-3-thiophen-3-yl-1H-pyrazolo[4,3-d]pyrimidine

5-(2-fluoro-6-methoxyphenyl)-3-thiophen-3-yl-1H-pyrazolo[4,3-d]pyrimidine (PubChem CID 134326340) has the molecular formula C16H11FN4OS and a molecular weight of 326.36 g/mol. Its IUPAC name is 5-(2-fluoro-6-methoxyphenyl)-3-thiophen-3-yl-1H-pyrazolo[4,3-d]pyrimidine.

Molecular Properties

Compound Name5-(2-fluoro-6-methoxyphenyl)-3-thiophen-3-yl-1H-pyrazolo[4,3-d]pyrimidine
PubChem CID134326340
Molecular FormulaC16H11FN4OS
Molecular Weight326.36 g/mol
Exact Mass326.06
IUPAC Name5-(2-fluoro-6-methoxyphenyl)-3-thiophen-3-yl-1H-pyrazolo[4,3-d]pyrimidine
SMILESCOc1cccc(F)c1-c1ncc2[nH]nc(-c3ccsc3)c2n1
InChIInChI=1S/C16H11FN4OS/c1-22-12-4-2-3-10(17)13(12)16-18-7-11-15(19-16)14(21-20-11)9-5-6-23-8-9/h2-8H,1H3,(H,20,21)
InChIKeyGQADFGVHBYEGQA-UHFFFAOYSA-N
XLogP3.90
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)-3-(thiophen-3-yl)pyrazolo[1,5-d][1,2,4]triazine
CID 16006944
7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)-3-(thiophen-2-yl)pyrazolo[1,5-d][1,2,4]triazine
CID 18406916
2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)-3-phenyl-7-(thiophen-2-yl)pyrazolo[1,5-d][1,2,4]triazine
CID 18406866
N2-(4-(benzo[d]thiazol-2-yl)-3-methoxyphenyl)-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 44564788
US11014929, Example 11
CID 134326327
US11014929, Example 14
CID 134326851
1H-Purine, 8-(2-methoxy-4-(methylthio)phenyl)-
CID 3059913
7-[[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]thieno[3,2-b]pyridine
CID 70677258
2-(4-Methoxyphenyl)-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine
CID 127036450
2-(2-Methoxyphenyl)-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine
CID 127045824
2-[(4-fluorophenoxy)methyl]-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine
CID 155540446
3-[5-[2-Methoxy-4-(trifluoromethyl)phenyl]thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
CID 164613273

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-6-methoxyphenyl)-3-thiophen-3-yl-1H-pyrazolo[4,3-d]pyrimidine?
The IUPAC name of 5-(2-fluoro-6-methoxyphenyl)-3-thiophen-3-yl-1H-pyrazolo[4,3-d]pyrimidine (CID 134326340) is 5-(2-fluoro-6-methoxyphenyl)-3-thiophen-3-yl-1H-pyrazolo[4,3-d]pyrimidine.
What is the SMILES notation for 5-(2-fluoro-6-methoxyphenyl)-3-thiophen-3-yl-1H-pyrazolo[4,3-d]pyrimidine?
The canonical SMILES for 5-(2-fluoro-6-methoxyphenyl)-3-thiophen-3-yl-1H-pyrazolo[4,3-d]pyrimidine is COc1cccc(F)c1-c1ncc2[nH]nc(-c3ccsc3)c2n1.
What is the InChIKey of 5-(2-fluoro-6-methoxyphenyl)-3-thiophen-3-yl-1H-pyrazolo[4,3-d]pyrimidine?
The InChIKey is GQADFGVHBYEGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4OS/c1-22-12-4-2-3-10(17)13(12)16-18-7-11-15(19-16)14(21-20-11)9-5-6-23-8-9/h2-8H,1H3,(H,20,21).
What are the key properties of 5-(2-fluoro-6-methoxyphenyl)-3-thiophen-3-yl-1H-pyrazolo[4,3-d]pyrimidine?
5-(2-fluoro-6-methoxyphenyl)-3-thiophen-3-yl-1H-pyrazolo[4,3-d]pyrimidine has a molecular weight of 326.36 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-6-methoxyphenyl)-3-thiophen-3-yl-1H-pyrazolo[4,3-d]pyrimidine is sourced from PubChem (CID 134326340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).