6-(2-chlorophenoxy)-3-(3-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine

C17H10ClFN4O — CID 59834352

IUPAC6-(2-chlorophenoxy)-3-(3-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine
SMILESFc1cccc(-c2[nH]nc3nc(Oc4ccccc4Cl)ncc23)c1
InChIInChI=1S/C17H10ClFN4O/c18-13-6-1-2-7-14(13)24-17-20-9-12-15(22-23-16(12)21-17)10-4-3-5-11(19)8-10/h1-9H,(H,20,21,22,23)
InChIKeyPKZNYJXYKCKJJG-UHFFFAOYSA-N
MW340.75 g/mol
LogP4.60
Rot. Bonds3

About 6-(2-chlorophenoxy)-3-(3-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine

6-(2-chlorophenoxy)-3-(3-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine (PubChem CID 59834352) has the molecular formula C17H10ClFN4O and a molecular weight of 340.75 g/mol. Its IUPAC name is 6-(2-chlorophenoxy)-3-(3-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-(2-chlorophenoxy)-3-(3-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine
PubChem CID59834352
Molecular FormulaC17H10ClFN4O
Molecular Weight340.75 g/mol
Exact Mass340.05
IUPAC Name6-(2-chlorophenoxy)-3-(3-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine
SMILESFc1cccc(-c2[nH]nc3nc(Oc4ccccc4Cl)ncc23)c1
InChIInChI=1S/C17H10ClFN4O/c18-13-6-1-2-7-14(13)24-17-20-9-12-15(22-23-16(12)21-17)10-4-3-5-11(19)8-10/h1-9H,(H,20,21,22,23)
InChIKeyPKZNYJXYKCKJJG-UHFFFAOYSA-N
XLogP4.60
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.75
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenoxy)-3-(3-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 6-(2-chlorophenoxy)-3-(3-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine (CID 59834352) is 6-(2-chlorophenoxy)-3-(3-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 6-(2-chlorophenoxy)-3-(3-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 6-(2-chlorophenoxy)-3-(3-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine is Fc1cccc(-c2[nH]nc3nc(Oc4ccccc4Cl)ncc23)c1.
What is the InChIKey of 6-(2-chlorophenoxy)-3-(3-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine?
The InChIKey is PKZNYJXYKCKJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClFN4O/c18-13-6-1-2-7-14(13)24-17-20-9-12-15(22-23-16(12)21-17)10-4-3-5-11(19)8-10/h1-9H,(H,20,21,22,23).
What are the key properties of 6-(2-chlorophenoxy)-3-(3-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine?
6-(2-chlorophenoxy)-3-(3-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine has a molecular weight of 340.75 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenoxy)-3-(3-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 59834352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).