6-[4-cyclopropyl-6-(oxolan-3-yloxy)pyrimidin-5-yl]-1-[[4-(1,4-dimethylimidazol-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine

C28H28N8O2 — CID 171762887

IUPAC6-[4-cyclopropyl-6-(oxolan-3-yloxy)pyrimidin-5-yl]-1-[[4-(1,4-dimethylimidazol-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine
SMILESCc1cn(C)c(-c2ccc(Cn3ncc4cnc(-c5c(OC6CCOC6)ncnc5C5CC5)nc43)cc2)n1
InChIInChI=1S/C28H28N8O2/c1-17-13-35(2)26(33-17)20-5-3-18(4-6-20)14-36-27-21(12-32-36)11-29-25(34-27)23-24(19-7-8-19)30-16-31-28(23)38-22-9-10-37-15-22/h3-6,11-13,16,19,22H,7-10,14-15H2,1-2H3
InChIKeyPXTZQVNDEKXSDC-UHFFFAOYSA-N
MW508.59 g/mol
LogP4.09
Rot. Bonds7

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

6-[4-cyclopropyl-6-(oxolan-3-yloxy)pyrimidin-5-yl]-1-[[4-(1,4-dimethylimidazol-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine (PubChem CID 171762887) has the molecular formula C28H28N8O2 and a molecular weight of 508.59 g/mol. Its IUPAC name is 6-[4-cyclopropyl-6-(oxolan-3-yloxy)pyrimidin-5-yl]-1-[[4-(1,4-dimethylimidazol-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-[4-cyclopropyl-6-(oxolan-3-yloxy)pyrimidin-5-yl]-1-[[4-(1,4-dimethylimidazol-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine
PubChem CID171762887
Molecular FormulaC28H28N8O2
Molecular Weight508.59 g/mol
Exact Mass508.23
IUPAC Name6-[4-cyclopropyl-6-(oxolan-3-yloxy)pyrimidin-5-yl]-1-[[4-(1,4-dimethylimidazol-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine
SMILESCc1cn(C)c(-c2ccc(Cn3ncc4cnc(-c5c(OC6CCOC6)ncnc5C5CC5)nc43)cc2)n1
InChIInChI=1S/C28H28N8O2/c1-17-13-35(2)26(33-17)20-5-3-18(4-6-20)14-36-27-21(12-32-36)11-29-25(34-27)23-24(19-7-8-19)30-16-31-28(23)38-22-9-10-37-15-22/h3-6,11-13,16,19,22H,7-10,14-15H2,1-2H3
InChIKeyPXTZQVNDEKXSDC-UHFFFAOYSA-N
XLogP4.09
TPSA105.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.59
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 6-[4-cyclopropyl-6-(oxolan-3-yloxy)pyrimidin-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
7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)-3-(pyridin-3-yl)pyrazolo[1,5-d][1,2,4]triazine
CID 18406917
Idrx-42
CID 155587867
US10399985, Example 37
CID 118288255
US10399985, Example 46
CID 122693994
3-[6-(2-Methoxyethoxy)-3-pyridinyl]-2-methyl-8-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 52932517
2-[2-(2-Methoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 118525854
6-(1-Cyclopropylpyrazol-4-yl)-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179849
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
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
3-[2-[4-[4-(2-Methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-8-phenyl-[1,2,4]triazolo[5,1-f]purin-5-amine
CID 44438088
7-benzyl-4-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine
CID 70681066

Frequently Asked Questions

What is the IUPAC name of 6-[4-cyclopropyl-6-(oxolan-3-yloxy)pyrimidin-5-yl]-1-[[4-(1,4-dimethylimidazol-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 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) is 6-[4-cyclopropyl-6-(oxolan-3-yloxy)pyrimidin-5-yl]-1-[[4-(1,4-dimethylimidazol-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 6-[4-cyclopropyl-6-(oxolan-3-yloxy)pyrimidin-5-yl]-1-[[4-(1,4-dimethylimidazol-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 6-[4-cyclopropyl-6-(oxolan-3-yloxy)pyrimidin-5-yl]-1-[[4-(1,4-dimethylimidazol-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine is Cc1cn(C)c(-c2ccc(Cn3ncc4cnc(-c5c(OC6CCOC6)ncnc5C5CC5)nc43)cc2)n1.
What is the InChIKey of 6-[4-cyclopropyl-6-(oxolan-3-yloxy)pyrimidin-5-yl]-1-[[4-(1,4-dimethylimidazol-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine?
The InChIKey is PXTZQVNDEKXSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N8O2/c1-17-13-35(2)26(33-17)20-5-3-18(4-6-20)14-36-27-21(12-32-36)11-29-25(34-27)23-24(19-7-8-19)30-16-31-28(23)38-22-9-10-37-15-22/h3-6,11-13,16,19,22H,7-10,14-15H2,1-2H3.
What are the key properties of 6-[4-cyclopropyl-6-(oxolan-3-yloxy)pyrimidin-5-yl]-1-[[4-(1,4-dimethylimidazol-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine?
6-[4-cyclopropyl-6-(oxolan-3-yloxy)pyrimidin-5-yl]-1-[[4-(1,4-dimethylimidazol-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine has a molecular weight of 508.59 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-cyclopropyl-6-(oxolan-3-yloxy)pyrimidin-5-yl]-1-[[4-(1,4-dimethylimidazol-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 171762887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).