5-(4-methoxyphenyl)-1,6-diphenylpyrazolo[5,4-d]pyrimidin-4-one

C24H18N4O2 — CID 67281727

IUPAC5-(4-methoxyphenyl)-1,6-diphenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccc(-n2c(-c3ccccc3)nc3c(cnn3-c3ccccc3)c2=O)cc1
InChIInChI=1S/C24H18N4O2/c1-30-20-14-12-18(13-15-20)27-22(17-8-4-2-5-9-17)26-23-21(24(27)29)16-25-28(23)19-10-6-3-7-11-19/h2-16H,1H3
InChIKeyZSQUVPGLHAWOPI-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.25
Rot. Bonds4

About 5-(4-methoxyphenyl)-1,6-diphenylpyrazolo[5,4-d]pyrimidin-4-one

5-(4-methoxyphenyl)-1,6-diphenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 67281727) has the molecular formula C24H18N4O2 and a molecular weight of 394.43 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1,6-diphenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1,6-diphenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID67281727
Molecular FormulaC24H18N4O2
Molecular Weight394.43 g/mol
Exact Mass394.14
IUPAC Name5-(4-methoxyphenyl)-1,6-diphenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccc(-n2c(-c3ccccc3)nc3c(cnn3-c3ccccc3)c2=O)cc1
InChIInChI=1S/C24H18N4O2/c1-30-20-14-12-18(13-15-20)27-22(17-8-4-2-5-9-17)26-23-21(24(27)29)16-25-28(23)19-10-6-3-7-11-19/h2-16H,1H3
InChIKeyZSQUVPGLHAWOPI-UHFFFAOYSA-N
XLogP4.25
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-methoxyphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 2275304
5-(3-methylphenyl)-1,6-diphenylpyrazolo[5,4-d]pyrimidin-4-one
CID 1347889
5-butyl-6-(4-methoxyphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 2038166
5-(3-methylphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 4612081
3-(4-methoxyphenyl)-2-phenylquinazolin-4-one
CID 708934
5-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 122190736
5-(4-bromophenyl)-1-phenyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 11562543
5-(4-fluorophenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 122190733
6-(4-methoxyphenyl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135426480
6-(2-fluorophenyl)-5-(4-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 1068283
5-(4-fluorophenyl)-6-(furan-2-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 1068284
2-(4-methoxyphenyl)-3-pyridin-4-ylquinazolin-4-one
CID 829457

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1,6-diphenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-(4-methoxyphenyl)-1,6-diphenylpyrazolo[5,4-d]pyrimidin-4-one (CID 67281727) is 5-(4-methoxyphenyl)-1,6-diphenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-1,6-diphenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-methoxyphenyl)-1,6-diphenylpyrazolo[5,4-d]pyrimidin-4-one is COc1ccc(-n2c(-c3ccccc3)nc3c(cnn3-c3ccccc3)c2=O)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1,6-diphenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is ZSQUVPGLHAWOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2/c1-30-20-14-12-18(13-15-20)27-22(17-8-4-2-5-9-17)26-23-21(24(27)29)16-25-28(23)19-10-6-3-7-11-19/h2-16H,1H3.
What are the key properties of 5-(4-methoxyphenyl)-1,6-diphenylpyrazolo[5,4-d]pyrimidin-4-one?
5-(4-methoxyphenyl)-1,6-diphenylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 394.43 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1,6-diphenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 67281727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).