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

C21H20N4O2 — CID 5307766

IUPAC1-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccc(-n2c(C)nc3c(cnn3-c3ccc(C)c(C)c3)c2=O)cc1
InChIInChI=1S/C21H20N4O2/c1-13-5-6-17(11-14(13)2)25-20-19(12-22-25)21(26)24(15(3)23-20)16-7-9-18(27-4)10-8-16/h5-12H,1-4H3
InChIKeyUXMHFOUBZZQKED-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.51
Rot. Bonds3

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

1-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 5307766) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID5307766
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name1-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccc(-n2c(C)nc3c(cnn3-c3ccc(C)c(C)c3)c2=O)cc1
InChIInChI=1S/C21H20N4O2/c1-13-5-6-17(11-14(13)2)25-20-19(12-22-25)21(26)24(15(3)23-20)16-7-9-18(27-4)10-8-16/h5-12H,1-4H3
InChIKeyUXMHFOUBZZQKED-UHFFFAOYSA-N
XLogP3.51
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one (CID 5307766) is 1-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one is COc1ccc(-n2c(C)nc3c(cnn3-c3ccc(C)c(C)c3)c2=O)cc1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is UXMHFOUBZZQKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-13-5-6-17(11-14(13)2)25-20-19(12-22-25)21(26)24(15(3)23-20)16-7-9-18(27-4)10-8-16/h5-12H,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one?
1-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 360.42 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 5307766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).