6-[[2-(4-methoxyphenyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

C24H24N4O3 — CID 135912167

IUPAC6-[[2-(4-methoxyphenyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccc(-c2ccccc2Cc2nc3c(cnn3C3CCOCC3)c(=O)[nH]2)cc1
InChIInChI=1S/C24H24N4O3/c1-30-19-8-6-16(7-9-19)20-5-3-2-4-17(20)14-22-26-23-21(24(29)27-22)15-25-28(23)18-10-12-31-13-11-18/h2-9,15,18H,10-14H2,1H3,(H,26,27,29)
InChIKeyGZPYRODCYXXYME-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.74
Rot. Bonds5

About 6-[[2-(4-methoxyphenyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[[2-(4-methoxyphenyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135912167) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 6-[[2-(4-methoxyphenyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[[2-(4-methoxyphenyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135912167
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name6-[[2-(4-methoxyphenyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccc(-c2ccccc2Cc2nc3c(cnn3C3CCOCC3)c(=O)[nH]2)cc1
InChIInChI=1S/C24H24N4O3/c1-30-19-8-6-16(7-9-19)20-5-3-2-4-17(20)14-22-26-23-21(24(29)27-22)15-25-28(23)18-10-12-31-13-11-18/h2-9,15,18H,10-14H2,1H3,(H,26,27,29)
InChIKeyGZPYRODCYXXYME-UHFFFAOYSA-N
XLogP3.74
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(4-methoxyphenyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[[2-(4-methoxyphenyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135912167) is 6-[[2-(4-methoxyphenyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[[2-(4-methoxyphenyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[[2-(4-methoxyphenyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is COc1ccc(-c2ccccc2Cc2nc3c(cnn3C3CCOCC3)c(=O)[nH]2)cc1.
What is the InChIKey of 6-[[2-(4-methoxyphenyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is GZPYRODCYXXYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-30-19-8-6-16(7-9-19)20-5-3-2-4-17(20)14-22-26-23-21(24(29)27-22)15-25-28(23)18-10-12-31-13-11-18/h2-9,15,18H,10-14H2,1H3,(H,26,27,29).
What are the key properties of 6-[[2-(4-methoxyphenyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[[2-(4-methoxyphenyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 416.48 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(4-methoxyphenyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135912167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).