5-(3,4-dimethylphenyl)-1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one

C20H17FN4O — CID 3243545

IUPAC5-(3,4-dimethylphenyl)-1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(-n2c(C)nc3c(cnn3-c3ccc(F)cc3)c2=O)cc1C
InChIInChI=1S/C20H17FN4O/c1-12-4-7-17(10-13(12)2)24-14(3)23-19-18(20(24)26)11-22-25(19)16-8-5-15(21)6-9-16/h4-11H,1-3H3
InChIKeyIIMLHAKOIXMBJI-UHFFFAOYSA-N
MW348.38 g/mol
LogP3.64
Rot. Bonds2

About 5-(3,4-dimethylphenyl)-1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one

5-(3,4-dimethylphenyl)-1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 3243545) has the molecular formula C20H17FN4O and a molecular weight of 348.38 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID3243545
Molecular FormulaC20H17FN4O
Molecular Weight348.38 g/mol
Exact Mass348.14
IUPAC Name5-(3,4-dimethylphenyl)-1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(-n2c(C)nc3c(cnn3-c3ccc(F)cc3)c2=O)cc1C
InChIInChI=1S/C20H17FN4O/c1-12-4-7-17(10-13(12)2)24-14(3)23-19-18(20(24)26)11-22-25(19)16-8-5-15(21)6-9-16/h4-11H,1-3H3
InChIKeyIIMLHAKOIXMBJI-UHFFFAOYSA-N
XLogP3.64
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-(3,4-dimethylphenyl)-1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one (CID 3243545) is 5-(3,4-dimethylphenyl)-1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-(3,4-dimethylphenyl)-1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one is Cc1ccc(-n2c(C)nc3c(cnn3-c3ccc(F)cc3)c2=O)cc1C.
What is the InChIKey of 5-(3,4-dimethylphenyl)-1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is IIMLHAKOIXMBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O/c1-12-4-7-17(10-13(12)2)24-14(3)23-19-18(20(24)26)11-22-25(19)16-8-5-15(21)6-9-16/h4-11H,1-3H3.
What are the key properties of 5-(3,4-dimethylphenyl)-1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one?
5-(3,4-dimethylphenyl)-1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 348.38 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 3243545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).