6-(3-methylphenyl)-5-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

C25H20N4O — CID 1347663

IUPAC6-(3-methylphenyl)-5-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(-n2c(-c3cccc(C)c3)nc3c(cnn3-c3ccccc3)c2=O)cc1
InChIInChI=1S/C25H20N4O/c1-17-11-13-20(14-12-17)28-23(19-8-6-7-18(2)15-19)27-24-22(25(28)30)16-26-29(24)21-9-4-3-5-10-21/h3-16H,1-2H3
InChIKeyDVUGYDCGGNOGIV-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.86
Rot. Bonds3

About 6-(3-methylphenyl)-5-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

6-(3-methylphenyl)-5-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 1347663) has the molecular formula C25H20N4O and a molecular weight of 392.46 g/mol. Its IUPAC name is 6-(3-methylphenyl)-5-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(3-methylphenyl)-5-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID1347663
Molecular FormulaC25H20N4O
Molecular Weight392.46 g/mol
Exact Mass392.16
IUPAC Name6-(3-methylphenyl)-5-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(-n2c(-c3cccc(C)c3)nc3c(cnn3-c3ccccc3)c2=O)cc1
InChIInChI=1S/C25H20N4O/c1-17-11-13-20(14-12-17)28-23(19-8-6-7-18(2)15-19)27-24-22(25(28)30)16-26-29(24)21-9-4-3-5-10-21/h3-16H,1-2H3
InChIKeyDVUGYDCGGNOGIV-UHFFFAOYSA-N
XLogP4.86
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1H-Pyrazolo(3,4-d)pyrimidin-4-one, 4,5-dihydro-5-benzyl-1-phenyl-
CID 714182
3-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]-1-[4-(trifluoromethyl)phenyl]urea
CID 135869421
1-methyl-5-phenyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 132259554
5-Allyl-6-benzyl-1-phenyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 722802
6-methyl-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135401776
3-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]-1-phenylurea
CID 135869419
1-(4-fluorophenyl)-3-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]urea
CID 135869420
1-(4-benzylphenyl)-3-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]urea
CID 135869422
1-benzyl-3-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]urea
CID 135869423
1-[4-(dimethylamino)phenyl]-3-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]urea
CID 135869430
2-[1-(3,4-Dimethyl-phenyl)-4-oxo-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl]-N,N-dimethyl-acetamide
CID 1433582
1-(3,4-Dimethyl-phenyl)-5-(2-oxo-propyl)-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 1433583

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylphenyl)-5-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-(3-methylphenyl)-5-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (CID 1347663) is 6-(3-methylphenyl)-5-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(3-methylphenyl)-5-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(3-methylphenyl)-5-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is Cc1ccc(-n2c(-c3cccc(C)c3)nc3c(cnn3-c3ccccc3)c2=O)cc1.
What is the InChIKey of 6-(3-methylphenyl)-5-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is DVUGYDCGGNOGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O/c1-17-11-13-20(14-12-17)28-23(19-8-6-7-18(2)15-19)27-24-22(25(28)30)16-26-29(24)21-9-4-3-5-10-21/h3-16H,1-2H3.
What are the key properties of 6-(3-methylphenyl)-5-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
6-(3-methylphenyl)-5-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 392.46 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylphenyl)-5-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 1347663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).