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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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).