5-(4-ethoxyphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

C26H22N4O2 — CID 15991090

IUPAC5-(4-ethoxyphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCCOc1ccc(-n2c(-c3ccc(C)cc3)nc3c(cnn3-c3ccccc3)c2=O)cc1
InChIInChI=1S/C26H22N4O2/c1-3-32-22-15-13-20(14-16-22)29-24(19-11-9-18(2)10-12-19)28-25-23(26(29)31)17-27-30(25)21-7-5-4-6-8-21/h4-17H,3H2,1-2H3
InChIKeyOBKCCUHDEJMTCI-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.95
Rot. Bonds5

About 5-(4-ethoxyphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

5-(4-ethoxyphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 15991090) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-ethoxyphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID15991090
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC Name5-(4-ethoxyphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCCOc1ccc(-n2c(-c3ccc(C)cc3)nc3c(cnn3-c3ccccc3)c2=O)cc1
InChIInChI=1S/C26H22N4O2/c1-3-32-22-15-13-20(14-16-22)29-24(19-11-9-18(2)10-12-19)28-25-23(26(29)31)17-27-30(25)21-7-5-4-6-8-21/h4-17H,3H2,1-2H3
InChIKeyOBKCCUHDEJMTCI-UHFFFAOYSA-N
XLogP4.95
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-(4-ethoxyphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (CID 15991090) is 5-(4-ethoxyphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-ethoxyphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-ethoxyphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is CCOc1ccc(-n2c(-c3ccc(C)cc3)nc3c(cnn3-c3ccccc3)c2=O)cc1.
What is the InChIKey of 5-(4-ethoxyphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is OBKCCUHDEJMTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2/c1-3-32-22-15-13-20(14-16-22)29-24(19-11-9-18(2)10-12-19)28-25-23(26(29)31)17-27-30(25)21-7-5-4-6-8-21/h4-17H,3H2,1-2H3.
What are the key properties of 5-(4-ethoxyphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
5-(4-ethoxyphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 422.49 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 15991090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).