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

C19H16N4O2 — CID 750040

IUPAC5-(4-methoxyphenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccc(-n2c(C)nc3c(cnn3-c3ccccc3)c2=O)cc1
InChIInChI=1S/C19H16N4O2/c1-13-21-18-17(12-20-23(18)15-6-4-3-5-7-15)19(24)22(13)14-8-10-16(25-2)11-9-14/h3-12H,1-2H3
InChIKeyBUPBXYYIDSJAKY-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.89
Rot. Bonds3

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

5-(4-methoxyphenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 750040) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID750040
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name5-(4-methoxyphenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccc(-n2c(C)nc3c(cnn3-c3ccccc3)c2=O)cc1
InChIInChI=1S/C19H16N4O2/c1-13-21-18-17(12-20-23(18)15-6-4-3-5-7-15)19(24)22(13)14-8-10-16(25-2)11-9-14/h3-12H,1-2H3
InChIKeyBUPBXYYIDSJAKY-UHFFFAOYSA-N
XLogP2.89
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-(4-methoxyphenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (CID 750040) is 5-(4-methoxyphenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-methoxyphenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is COc1ccc(-n2c(C)nc3c(cnn3-c3ccccc3)c2=O)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is BUPBXYYIDSJAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-13-21-18-17(12-20-23(18)15-6-4-3-5-7-15)19(24)22(13)14-8-10-16(25-2)11-9-14/h3-12H,1-2H3.
What are the key properties of 5-(4-methoxyphenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
5-(4-methoxyphenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 332.36 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 750040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).