4-(3,4-dimethylphenoxy)-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine

C19H15FN4O — CID 8540129

IUPAC4-(3,4-dimethylphenoxy)-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine
SMILESCc1ccc(Oc2ncnc3c2cnn3-c2ccc(F)cc2)cc1C
InChIInChI=1S/C19H15FN4O/c1-12-3-8-16(9-13(12)2)25-19-17-10-23-24(18(17)21-11-22-19)15-6-4-14(20)5-7-15/h3-11H,1-2H3
InChIKeyRKOCJXHTNJDSAD-UHFFFAOYSA-N
MW334.35 g/mol
LogP4.36
Rot. Bonds3

About 4-(3,4-dimethylphenoxy)-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine

4-(3,4-dimethylphenoxy)-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine (PubChem CID 8540129) has the molecular formula C19H15FN4O and a molecular weight of 334.35 g/mol. Its IUPAC name is 4-(3,4-dimethylphenoxy)-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-(3,4-dimethylphenoxy)-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine
PubChem CID8540129
Molecular FormulaC19H15FN4O
Molecular Weight334.35 g/mol
Exact Mass334.12
IUPAC Name4-(3,4-dimethylphenoxy)-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine
SMILESCc1ccc(Oc2ncnc3c2cnn3-c2ccc(F)cc2)cc1C
InChIInChI=1S/C19H15FN4O/c1-12-3-8-16(9-13(12)2)25-19-17-10-23-24(18(17)21-11-22-19)15-6-4-14(20)5-7-15/h3-11H,1-2H3
InChIKeyRKOCJXHTNJDSAD-UHFFFAOYSA-N
XLogP4.36
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluorophenoxy)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine
CID 8539514
4-(4-methylphenoxy)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine
CID 8539532
1-(4-chlorophenyl)-4-(3-methyl-4-nitrophenoxy)pyrazolo[5,4-d]pyrimidine
CID 7205668
4-methyl-7-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxychromen-2-one
CID 8539687
1-(3-chloro-4-methylphenyl)-4-[3-(trifluoromethyl)phenoxy]pyrazolo[5,4-d]pyrimidine
CID 8540644
1-phenyl-4-(4-propan-2-ylphenoxy)pyrazolo[5,4-d]pyrimidine
CID 8539191
1-(4-fluorophenyl)-4-methylsulfanylpyrazolo[5,4-d]pyrimidine
CID 17456265
1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 82192765
6-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-1,3-benzoxathiol-2-one
CID 8540058
6-[1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-1,3-benzoxathiol-2-one
CID 8539502
1-(2,4-dimethylphenyl)-4-(4-propan-2-ylphenoxy)pyrazolo[5,4-d]pyrimidine
CID 8540480
4-(4-nitrophenoxy)-1-phenylpyrazolo[5,4-d]pyrimidine
CID 167971445

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenoxy)-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-(3,4-dimethylphenoxy)-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine (CID 8540129) is 4-(3,4-dimethylphenoxy)-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-(3,4-dimethylphenoxy)-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-(3,4-dimethylphenoxy)-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine is Cc1ccc(Oc2ncnc3c2cnn3-c2ccc(F)cc2)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenoxy)-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine?
The InChIKey is RKOCJXHTNJDSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O/c1-12-3-8-16(9-13(12)2)25-19-17-10-23-24(18(17)21-11-22-19)15-6-4-14(20)5-7-15/h3-11H,1-2H3.
What are the key properties of 4-(3,4-dimethylphenoxy)-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine?
4-(3,4-dimethylphenoxy)-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine has a molecular weight of 334.35 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenoxy)-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 8540129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).