1-[4-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-1-methylimidazol-2-yl]ethanol

C26H26N8O2 — CID 175625094

IUPAC1-[4-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-1-methylimidazol-2-yl]ethanol
SMILESCOc1ncnc(C2CC2)c1-c1ncc2cnn(Cc3ccc(-c4cn(C)c(C(C)O)n4)cc3)c2n1
InChIInChI=1S/C26H26N8O2/c1-15(35)24-31-20(13-33(24)2)17-6-4-16(5-7-17)12-34-25-19(11-30-34)10-27-23(32-25)21-22(18-8-9-18)28-14-29-26(21)36-3/h4-7,10-11,13-15,18,35H,8-9,12H2,1-3H3
InChIKeyDFOYRKGNCMGEMS-UHFFFAOYSA-N
MW482.55 g/mol
LogP3.67
Rot. Bonds7

About 1-[4-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-1-methylimidazol-2-yl]ethanol

1-[4-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-1-methylimidazol-2-yl]ethanol (PubChem CID 175625094) has the molecular formula C26H26N8O2 and a molecular weight of 482.55 g/mol. Its IUPAC name is 1-[4-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-1-methylimidazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[4-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-1-methylimidazol-2-yl]ethanol
PubChem CID175625094
Molecular FormulaC26H26N8O2
Molecular Weight482.55 g/mol
Exact Mass482.22
IUPAC Name1-[4-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-1-methylimidazol-2-yl]ethanol
SMILESCOc1ncnc(C2CC2)c1-c1ncc2cnn(Cc3ccc(-c4cn(C)c(C(C)O)n4)cc3)c2n1
InChIInChI=1S/C26H26N8O2/c1-15(35)24-31-20(13-33(24)2)17-6-4-16(5-7-17)12-34-25-19(11-30-34)10-27-23(32-25)21-22(18-8-9-18)28-14-29-26(21)36-3/h4-7,10-11,13-15,18,35H,8-9,12H2,1-3H3
InChIKeyDFOYRKGNCMGEMS-UHFFFAOYSA-N
XLogP3.67
TPSA116.66 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.55
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 1-[4-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-1-methylimidazol-2-yl]ethanol 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

6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-(2-methyl-1-propan-2-ylimidazol-4-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine
CID 171762884
6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine
CID 151101725
[2-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-1-ethylimidazol-4-yl]methanol
CID 147222784
6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[1-(trideuteriomethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine
CID 151526121
2-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-1-ethylimidazole-4-carboxylic acid
CID 175151756
6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[5-(2-methoxyethoxy)-3-methylpyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine
CID 171762882
6-[4-cyclopropyl-6-(oxolan-3-yloxy)pyrimidin-5-yl]-1-[[4-(1,4-dimethylimidazol-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine
CID 171762887
2-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-5-methylpyrazole-3-carbonitrile
CID 171762866
1-[[4-[5-bromo-1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidine
CID 147978650
6-(4,6-dimethoxypyrimidin-5-yl)-1-[[4-(1,4-dimethylimidazol-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine
CID 171762926
2-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-2-fluorophenyl]-N,N,5-trimethylpyrazol-3-amine
CID 171762914
6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]cuban-1-yl]methyl]pyrazolo[3,4-d]pyrimidine
CID 168510617

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-1-methylimidazol-2-yl]ethanol?
The IUPAC name of 1-[4-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-1-methylimidazol-2-yl]ethanol (CID 175625094) is 1-[4-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-1-methylimidazol-2-yl]ethanol.
What is the SMILES notation for 1-[4-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-1-methylimidazol-2-yl]ethanol?
The canonical SMILES for 1-[4-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-1-methylimidazol-2-yl]ethanol is COc1ncnc(C2CC2)c1-c1ncc2cnn(Cc3ccc(-c4cn(C)c(C(C)O)n4)cc3)c2n1.
What is the InChIKey of 1-[4-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-1-methylimidazol-2-yl]ethanol?
The InChIKey is DFOYRKGNCMGEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8O2/c1-15(35)24-31-20(13-33(24)2)17-6-4-16(5-7-17)12-34-25-19(11-30-34)10-27-23(32-25)21-22(18-8-9-18)28-14-29-26(21)36-3/h4-7,10-11,13-15,18,35H,8-9,12H2,1-3H3.
What are the key properties of 1-[4-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-1-methylimidazol-2-yl]ethanol?
1-[4-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-1-methylimidazol-2-yl]ethanol has a molecular weight of 482.55 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-1-methylimidazol-2-yl]ethanol is sourced from PubChem (CID 175625094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).