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

C25H20N4O2 — CID 2275304

IUPAC5-(4-methoxyphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccc(-n2c(-c3ccc(C)cc3)nc3c(cnn3-c3ccccc3)c2=O)cc1
InChIInChI=1S/C25H20N4O2/c1-17-8-10-18(11-9-17)23-27-24-22(16-26-29(24)20-6-4-3-5-7-20)25(30)28(23)19-12-14-21(31-2)15-13-19/h3-16H,1-2H3
InChIKeyXGJYMGFLZJCJHO-UHFFFAOYSA-N
MW408.46 g/mol
LogP4.56
Rot. Bonds4

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

5-(4-methoxyphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 2275304) has the molecular formula C25H20N4O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID2275304
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC Name5-(4-methoxyphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccc(-n2c(-c3ccc(C)cc3)nc3c(cnn3-c3ccccc3)c2=O)cc1
InChIInChI=1S/C25H20N4O2/c1-17-8-10-18(11-9-17)23-27-24-22(16-26-29(24)20-6-4-3-5-7-20)25(30)28(23)19-12-14-21(31-2)15-13-19/h3-16H,1-2H3
InChIKeyXGJYMGFLZJCJHO-UHFFFAOYSA-N
XLogP4.56
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-methoxyphenyl)-1,6-diphenylpyrazolo[5,4-d]pyrimidin-4-one
CID 67281727
5-(3-methylphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 4612081
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-(4-bromophenyl)-1-phenyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 11562543
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
6-(4-methoxyphenyl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135426480
5-(4-chlorophenyl)-6-(4-methoxyphenyl)-3-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 24827369
5-(4-methylphenyl)-6-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 143223329
2-(4-methoxyphenyl)-3-pyridin-4-ylquinazolin-4-one
CID 829457
5-(4-fluorophenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 122190733

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-(4-methoxyphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (CID 2275304) is 5-(4-methoxyphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-methoxyphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is COc1ccc(-n2c(-c3ccc(C)cc3)nc3c(cnn3-c3ccccc3)c2=O)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is XGJYMGFLZJCJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2/c1-17-8-10-18(11-9-17)23-27-24-22(16-26-29(24)20-6-4-3-5-7-20)25(30)28(23)19-12-14-21(31-2)15-13-19/h3-16H,1-2H3.
What are the key properties of 5-(4-methoxyphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
5-(4-methoxyphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 408.46 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 2275304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).