6-(2-hydroxyphenyl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C17H12N4O2 — CID 162677164

IUPAC6-(2-hydroxyphenyl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccc2O)nc2c1cnn2-c1ccccc1
InChIInChI=1S/C17H12N4O2/c22-14-9-5-4-8-12(14)15-19-16-13(17(23)20-15)10-18-21(16)11-6-2-1-3-7-11/h1-10,22H,(H,19,20,23)
InChIKeyATFCMGDPAMCQDG-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.48
Rot. Bonds2

About 6-(2-hydroxyphenyl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-(2-hydroxyphenyl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 162677164) has the molecular formula C17H12N4O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 6-(2-hydroxyphenyl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(2-hydroxyphenyl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID162677164
Molecular FormulaC17H12N4O2
Molecular Weight304.31 g/mol
Exact Mass304.10
IUPAC Name6-(2-hydroxyphenyl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccc2O)nc2c1cnn2-c1ccccc1
InChIInChI=1S/C17H12N4O2/c22-14-9-5-4-8-12(14)15-19-16-13(17(23)20-15)10-18-21(16)11-6-2-1-3-7-11/h1-10,22H,(H,19,20,23)
InChIKeyATFCMGDPAMCQDG-UHFFFAOYSA-N
XLogP2.48
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyphenyl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-(2-hydroxyphenyl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 162677164) is 6-(2-hydroxyphenyl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(2-hydroxyphenyl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(2-hydroxyphenyl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is O=c1[nH]c(-c2ccccc2O)nc2c1cnn2-c1ccccc1.
What is the InChIKey of 6-(2-hydroxyphenyl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is ATFCMGDPAMCQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2/c22-14-9-5-4-8-12(14)15-19-16-13(17(23)20-15)10-18-21(16)11-6-2-1-3-7-11/h1-10,22H,(H,19,20,23).
What are the key properties of 6-(2-hydroxyphenyl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-(2-hydroxyphenyl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 304.31 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyphenyl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 162677164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).