5-[(2,5-dimethylphenyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-one

C20H17FN4O — CID 7518958

IUPAC5-[(2,5-dimethylphenyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(C)c(Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)c1
InChIInChI=1S/C20H17FN4O/c1-13-3-4-14(2)15(9-13)11-24-12-22-19-18(20(24)26)10-23-25(19)17-7-5-16(21)6-8-17/h3-10,12H,11H2,1-2H3
InChIKeyFNIRMVBPFMJMOR-UHFFFAOYSA-N
MW348.38 g/mol
LogP3.39
Rot. Bonds3

About 5-[(2,5-dimethylphenyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-one

5-[(2,5-dimethylphenyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 7518958) has the molecular formula C20H17FN4O and a molecular weight of 348.38 g/mol. Its IUPAC name is 5-[(2,5-dimethylphenyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[(2,5-dimethylphenyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID7518958
Molecular FormulaC20H17FN4O
Molecular Weight348.38 g/mol
Exact Mass348.14
IUPAC Name5-[(2,5-dimethylphenyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(C)c(Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)c1
InChIInChI=1S/C20H17FN4O/c1-13-3-4-14(2)15(9-13)11-24-12-22-19-18(20(24)26)10-23-25(19)17-7-5-16(21)6-8-17/h3-10,12H,11H2,1-2H3
InChIKeyFNIRMVBPFMJMOR-UHFFFAOYSA-N
XLogP3.39
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethylphenyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[(2,5-dimethylphenyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 7518958) is 5-[(2,5-dimethylphenyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[(2,5-dimethylphenyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[(2,5-dimethylphenyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-one is Cc1ccc(C)c(Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)c1.
What is the InChIKey of 5-[(2,5-dimethylphenyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is FNIRMVBPFMJMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O/c1-13-3-4-14(2)15(9-13)11-24-12-22-19-18(20(24)26)10-23-25(19)17-7-5-16(21)6-8-17/h3-10,12H,11H2,1-2H3.
What are the key properties of 5-[(2,5-dimethylphenyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-one?
5-[(2,5-dimethylphenyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 348.38 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethylphenyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 7518958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).