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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Related Compounds

4-(5-fluoro-2-methoxyphenyl)-6-methylpyrimidin-5-amine
CID 82390103
2-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]acetic acid
CID 82297374
6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-(4-methoxyphenyl)quinazoline;molecular hydrogen;dihydrochloride
CID 160703255
4-(5-fluoro-2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 134708059
5-(5-fluoro-2-methoxyphenyl)-N-methoxy-1H-1,2,4-triazol-3-amine
CID 156565763
4-(5-fluoro-2-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one
CID 136955594
4-(5-fluoro-2-methoxyphenyl)pyrimidine
CID 141365926
2-(5-fluoro-2-methoxyphenyl)-1H-imidazole
CID 55254368
2-chloro-5-(5-fluoro-2-methoxyphenyl)pyridine
CID 154604158
[5-(5-fluoro-2-methoxyphenyl)-1H-imidazol-2-yl]methanol
CID 116878261
4-(4-fluoro-2-methoxyphenyl)-1H-pyrazol-5-amine
CID 117295551
[5-(5-fluoro-2-methoxyphenyl)-1H-imidazol-2-yl]hydrazine
CID 116884083

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).