2-(4-methoxy-2,6-dimethylphenyl)-6-(1-methylpyrazol-4-yl)-5H-pyrazolo[3,4-d]pyrimidin-4-one

C18H18N6O2 — CID 176509214

IUPAC2-(4-methoxy-2,6-dimethylphenyl)-6-(1-methylpyrazol-4-yl)-5H-pyrazolo[3,4-d]pyrimidin-4-one
SMILESCOc1cc(C)c(-n2cc3c(=O)[nH]c(-c4cnn(C)c4)nc3n2)c(C)c1
InChIInChI=1S/C18H18N6O2/c1-10-5-13(26-4)6-11(2)15(10)24-9-14-17(22-24)20-16(21-18(14)25)12-7-19-23(3)8-12/h5-9H,1-4H3,(H,20,21,22,25)
InChIKeyYRTZBDIJQPBDIN-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.13
Rot. Bonds3

About 2-(4-methoxy-2,6-dimethylphenyl)-6-(1-methylpyrazol-4-yl)-5H-pyrazolo[3,4-d]pyrimidin-4-one

2-(4-methoxy-2,6-dimethylphenyl)-6-(1-methylpyrazol-4-yl)-5H-pyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 176509214) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 2-(4-methoxy-2,6-dimethylphenyl)-6-(1-methylpyrazol-4-yl)-5H-pyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-methoxy-2,6-dimethylphenyl)-6-(1-methylpyrazol-4-yl)-5H-pyrazolo[3,4-d]pyrimidin-4-one
PubChem CID176509214
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name2-(4-methoxy-2,6-dimethylphenyl)-6-(1-methylpyrazol-4-yl)-5H-pyrazolo[3,4-d]pyrimidin-4-one
SMILESCOc1cc(C)c(-n2cc3c(=O)[nH]c(-c4cnn(C)c4)nc3n2)c(C)c1
InChIInChI=1S/C18H18N6O2/c1-10-5-13(26-4)6-11(2)15(10)24-9-14-17(22-24)20-16(21-18(14)25)12-7-19-23(3)8-12/h5-9H,1-4H3,(H,20,21,22,25)
InChIKeyYRTZBDIJQPBDIN-UHFFFAOYSA-N
XLogP2.13
TPSA90.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4-methoxy-2,6-dimethylphenyl)-6-(1-methylpyrazol-4-yl)-5H-pyrazolo[3,4-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-6-(1-methylpyrazol-4-yl)-1H-1,3,5-triazin-2-one
CID 106515838
2-(4-cyclopropyl-2,6-dimethylphenyl)-6-(4-methyl-1,3-thiazol-2-yl)-5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 176509254
5-methoxy-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine
CID 65485621
4-(4-methoxyphenyl)-1-methylpyrazole
CID 4101323
5-ethyl-4-hydroxy-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 63611285
6-bromo-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine
CID 60731660
4-cyclopropyl-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 135975402
6-methyl-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-2-one
CID 106515852
6-(4-fluorophenyl)-2-(1-methylpyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 138994697
2-(3-methoxyphenyl)-3-methyl-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46973825
7-methoxy-2-(4-methoxyphenyl)-3H-quinazolin-4-one
CID 136593380
4-(3-ethyl-5-methoxyphenyl)-1-methylpyrazole
CID 170591109

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2,6-dimethylphenyl)-6-(1-methylpyrazol-4-yl)-5H-pyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(4-methoxy-2,6-dimethylphenyl)-6-(1-methylpyrazol-4-yl)-5H-pyrazolo[3,4-d]pyrimidin-4-one (CID 176509214) is 2-(4-methoxy-2,6-dimethylphenyl)-6-(1-methylpyrazol-4-yl)-5H-pyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(4-methoxy-2,6-dimethylphenyl)-6-(1-methylpyrazol-4-yl)-5H-pyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(4-methoxy-2,6-dimethylphenyl)-6-(1-methylpyrazol-4-yl)-5H-pyrazolo[3,4-d]pyrimidin-4-one is COc1cc(C)c(-n2cc3c(=O)[nH]c(-c4cnn(C)c4)nc3n2)c(C)c1.
What is the InChIKey of 2-(4-methoxy-2,6-dimethylphenyl)-6-(1-methylpyrazol-4-yl)-5H-pyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is YRTZBDIJQPBDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-10-5-13(26-4)6-11(2)15(10)24-9-14-17(22-24)20-16(21-18(14)25)12-7-19-23(3)8-12/h5-9H,1-4H3,(H,20,21,22,25).
What are the key properties of 2-(4-methoxy-2,6-dimethylphenyl)-6-(1-methylpyrazol-4-yl)-5H-pyrazolo[3,4-d]pyrimidin-4-one?
2-(4-methoxy-2,6-dimethylphenyl)-6-(1-methylpyrazol-4-yl)-5H-pyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 350.38 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2,6-dimethylphenyl)-6-(1-methylpyrazol-4-yl)-5H-pyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 176509214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).