6-(4,6-dimethoxypyrimidin-5-yl)-1-[[4-(1,4-dimethylimidazol-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine

C23H22N8O2 — CID 171762926

IUPAC6-(4,6-dimethoxypyrimidin-5-yl)-1-[[4-(1,4-dimethylimidazol-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine
SMILESCOc1ncnc(OC)c1-c1ncc2cnn(Cc3ccc(-c4nc(C)cn4C)cc3)c2n1
InChIInChI=1S/C23H22N8O2/c1-14-11-30(2)20(28-14)16-7-5-15(6-8-16)12-31-21-17(10-27-31)9-24-19(29-21)18-22(32-3)25-13-26-23(18)33-4/h5-11,13H,12H2,1-4H3
InChIKeyUBWZFAGWYZNXPM-UHFFFAOYSA-N
MW442.48 g/mol
LogP3.06
Rot. Bonds6

About 6-(4,6-dimethoxypyrimidin-5-yl)-1-[[4-(1,4-dimethylimidazol-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine

6-(4,6-dimethoxypyrimidin-5-yl)-1-[[4-(1,4-dimethylimidazol-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine (PubChem CID 171762926) has the molecular formula C23H22N8O2 and a molecular weight of 442.48 g/mol. Its IUPAC name is 6-(4,6-dimethoxypyrimidin-5-yl)-1-[[4-(1,4-dimethylimidazol-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-(4,6-dimethoxypyrimidin-5-yl)-1-[[4-(1,4-dimethylimidazol-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine
PubChem CID171762926
Molecular FormulaC23H22N8O2
Molecular Weight442.48 g/mol
Exact Mass442.19
IUPAC Name6-(4,6-dimethoxypyrimidin-5-yl)-1-[[4-(1,4-dimethylimidazol-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine
SMILESCOc1ncnc(OC)c1-c1ncc2cnn(Cc3ccc(-c4nc(C)cn4C)cc3)c2n1
InChIInChI=1S/C23H22N8O2/c1-14-11-30(2)20(28-14)16-7-5-15(6-8-16)12-31-21-17(10-27-31)9-24-19(29-21)18-22(32-3)25-13-26-23(18)33-4/h5-11,13H,12H2,1-4H3
InChIKeyUBWZFAGWYZNXPM-UHFFFAOYSA-N
XLogP3.06
TPSA105.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 6-(4,6-dimethoxypyrimidin-5-yl)-1-[[4-(1,4-dimethylimidazol-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine 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

Ksq-4279
CID 150782011
Idrx-42
CID 155587867
US10399985, Example 46
CID 122693994
2-[2-(2-Methoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 118525854
N-[[4-(2-methyltriazol-4-yl)phenyl]methyl]-6-[7-(3-pyrrolidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
CID 155587470
6-(7-Methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methyl-2H-1,2,3-triazol-4-yl)phenyl]methyl]-4-pyrimidinamine
CID 155587672
6-[7-[(1-methylazetidin-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine
CID 155587755
6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine
CID 155587884
N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-6-[7-(oxolan-3-yloxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
CID 157374160
7-[[2-(6-Methoxy-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine
CID 11256579
US9018217, 7-Methoxy-5,8-dimethyl-2-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine
CID 44608933
US9018217, 7-Methoxy-5-methyl-2-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine
CID 66636196

Frequently Asked Questions

What is the IUPAC name of 6-(4,6-dimethoxypyrimidin-5-yl)-1-[[4-(1,4-dimethylimidazol-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 6-(4,6-dimethoxypyrimidin-5-yl)-1-[[4-(1,4-dimethylimidazol-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine (CID 171762926) is 6-(4,6-dimethoxypyrimidin-5-yl)-1-[[4-(1,4-dimethylimidazol-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 6-(4,6-dimethoxypyrimidin-5-yl)-1-[[4-(1,4-dimethylimidazol-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 6-(4,6-dimethoxypyrimidin-5-yl)-1-[[4-(1,4-dimethylimidazol-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine is COc1ncnc(OC)c1-c1ncc2cnn(Cc3ccc(-c4nc(C)cn4C)cc3)c2n1.
What is the InChIKey of 6-(4,6-dimethoxypyrimidin-5-yl)-1-[[4-(1,4-dimethylimidazol-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine?
The InChIKey is UBWZFAGWYZNXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O2/c1-14-11-30(2)20(28-14)16-7-5-15(6-8-16)12-31-21-17(10-27-31)9-24-19(29-21)18-22(32-3)25-13-26-23(18)33-4/h5-11,13H,12H2,1-4H3.
What are the key properties of 6-(4,6-dimethoxypyrimidin-5-yl)-1-[[4-(1,4-dimethylimidazol-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine?
6-(4,6-dimethoxypyrimidin-5-yl)-1-[[4-(1,4-dimethylimidazol-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine has a molecular weight of 442.48 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,6-dimethoxypyrimidin-5-yl)-1-[[4-(1,4-dimethylimidazol-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 171762926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).