7-(5-fluoro-2-methoxyphenyl)-1H-pyrazolo[4,5-d]pyrimidine

C12H9FN4O — CID 68912839

IUPAC7-(5-fluoro-2-methoxyphenyl)-1H-pyrazolo[4,5-d]pyrimidine
SMILESCOc1ccc(F)cc1-c1ncnc2cn[nH]c12
InChIInChI=1S/C12H9FN4O/c1-18-10-3-2-7(13)4-8(10)11-12-9(5-16-17-12)14-6-15-11/h2-6H,1H3,(H,16,17)
InChIKeyYEFZHSLHVKMNAJ-UHFFFAOYSA-N
MW244.23 g/mol
LogP2.17
Rot. Bonds2

About 7-(5-fluoro-2-methoxyphenyl)-1H-pyrazolo[4,5-d]pyrimidine

7-(5-fluoro-2-methoxyphenyl)-1H-pyrazolo[4,5-d]pyrimidine (PubChem CID 68912839) has the molecular formula C12H9FN4O and a molecular weight of 244.23 g/mol. Its IUPAC name is 7-(5-fluoro-2-methoxyphenyl)-1H-pyrazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name7-(5-fluoro-2-methoxyphenyl)-1H-pyrazolo[4,5-d]pyrimidine
PubChem CID68912839
Molecular FormulaC12H9FN4O
Molecular Weight244.23 g/mol
Exact Mass244.08
IUPAC Name7-(5-fluoro-2-methoxyphenyl)-1H-pyrazolo[4,5-d]pyrimidine
SMILESCOc1ccc(F)cc1-c1ncnc2cn[nH]c12
InChIInChI=1S/C12H9FN4O/c1-18-10-3-2-7(13)4-8(10)11-12-9(5-16-17-12)14-6-15-11/h2-6H,1H3,(H,16,17)
InChIKeyYEFZHSLHVKMNAJ-UHFFFAOYSA-N
XLogP2.17
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(5-fluoro-2-methoxyphenyl)-1H-pyrazolo[4,5-d]pyrimidine?
The IUPAC name of 7-(5-fluoro-2-methoxyphenyl)-1H-pyrazolo[4,5-d]pyrimidine (CID 68912839) is 7-(5-fluoro-2-methoxyphenyl)-1H-pyrazolo[4,5-d]pyrimidine.
What is the SMILES notation for 7-(5-fluoro-2-methoxyphenyl)-1H-pyrazolo[4,5-d]pyrimidine?
The canonical SMILES for 7-(5-fluoro-2-methoxyphenyl)-1H-pyrazolo[4,5-d]pyrimidine is COc1ccc(F)cc1-c1ncnc2cn[nH]c12.
What is the InChIKey of 7-(5-fluoro-2-methoxyphenyl)-1H-pyrazolo[4,5-d]pyrimidine?
The InChIKey is YEFZHSLHVKMNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4O/c1-18-10-3-2-7(13)4-8(10)11-12-9(5-16-17-12)14-6-15-11/h2-6H,1H3,(H,16,17).
What are the key properties of 7-(5-fluoro-2-methoxyphenyl)-1H-pyrazolo[4,5-d]pyrimidine?
7-(5-fluoro-2-methoxyphenyl)-1H-pyrazolo[4,5-d]pyrimidine has a molecular weight of 244.23 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-fluoro-2-methoxyphenyl)-1H-pyrazolo[4,5-d]pyrimidine is sourced from PubChem (CID 68912839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).