6-(2-fluorophenyl)-5-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one

C25H19FN4O2 — CID 15990654

IUPAC6-(2-fluorophenyl)-5-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1cccc(-n2c(-c3ccccc3F)nc3c(cnn3-c3ccc(C)cc3)c2=O)c1
InChIInChI=1S/C25H19FN4O2/c1-16-10-12-17(13-11-16)30-24-21(15-27-30)25(31)29(18-6-5-7-19(14-18)32-2)23(28-24)20-8-3-4-9-22(20)26/h3-15H,1-2H3
InChIKeyMMMUPHMAKAEKDW-UHFFFAOYSA-N
MW426.45 g/mol
LogP4.69
Rot. Bonds4

About 6-(2-fluorophenyl)-5-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one

6-(2-fluorophenyl)-5-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 15990654) has the molecular formula C25H19FN4O2 and a molecular weight of 426.45 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-5-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(2-fluorophenyl)-5-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID15990654
Molecular FormulaC25H19FN4O2
Molecular Weight426.45 g/mol
Exact Mass426.15
IUPAC Name6-(2-fluorophenyl)-5-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1cccc(-n2c(-c3ccccc3F)nc3c(cnn3-c3ccc(C)cc3)c2=O)c1
InChIInChI=1S/C25H19FN4O2/c1-16-10-12-17(13-11-16)30-24-21(15-27-30)25(31)29(18-6-5-7-19(14-18)32-2)23(28-24)20-8-3-4-9-22(20)26/h3-15H,1-2H3
InChIKeyMMMUPHMAKAEKDW-UHFFFAOYSA-N
XLogP4.69
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.45
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-5-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-(2-fluorophenyl)-5-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 15990654) is 6-(2-fluorophenyl)-5-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(2-fluorophenyl)-5-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(2-fluorophenyl)-5-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one is COc1cccc(-n2c(-c3ccccc3F)nc3c(cnn3-c3ccc(C)cc3)c2=O)c1.
What is the InChIKey of 6-(2-fluorophenyl)-5-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is MMMUPHMAKAEKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4O2/c1-16-10-12-17(13-11-16)30-24-21(15-27-30)25(31)29(18-6-5-7-19(14-18)32-2)23(28-24)20-8-3-4-9-22(20)26/h3-15H,1-2H3.
What are the key properties of 6-(2-fluorophenyl)-5-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
6-(2-fluorophenyl)-5-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 426.45 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-5-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 15990654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).