1-(2,4-dimethylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine

C23H23N5 — CID 4121418

IUPAC1-(2,4-dimethylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccc(-n2ncc3c(Nc4cccc5c4CCCC5)ncnc32)c(C)c1
InChIInChI=1S/C23H23N5/c1-15-10-11-21(16(2)12-15)28-23-19(13-26-28)22(24-14-25-23)27-20-9-5-7-17-6-3-4-8-18(17)20/h5,7,9-14H,3-4,6,8H2,1-2H3,(H,24,25,27)
InChIKeyGMAVHQPATHZEHA-UHFFFAOYSA-N
MW369.47 g/mol
LogP5.05
Rot. Bonds3

About 1-(2,4-dimethylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine

1-(2,4-dimethylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 4121418) has the molecular formula C23H23N5 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID4121418
Molecular FormulaC23H23N5
Molecular Weight369.47 g/mol
Exact Mass369.20
IUPAC Name1-(2,4-dimethylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccc(-n2ncc3c(Nc4cccc5c4CCCC5)ncnc32)c(C)c1
InChIInChI=1S/C23H23N5/c1-15-10-11-21(16(2)12-15)28-23-19(13-26-28)22(24-14-25-23)27-20-9-5-7-17-6-3-4-8-18(17)20/h5,7,9-14H,3-4,6,8H2,1-2H3,(H,24,25,27)
InChIKeyGMAVHQPATHZEHA-UHFFFAOYSA-N
XLogP5.05
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.47
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,4-dimethylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(2,4-dimethylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 4121418) is 1-(2,4-dimethylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine is Cc1ccc(-n2ncc3c(Nc4cccc5c4CCCC5)ncnc32)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is GMAVHQPATHZEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5/c1-15-10-11-21(16(2)12-15)28-23-19(13-26-28)22(24-14-25-23)27-20-9-5-7-17-6-3-4-8-18(17)20/h5,7,9-14H,3-4,6,8H2,1-2H3,(H,24,25,27).
What are the key properties of 1-(2,4-dimethylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-(2,4-dimethylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 369.47 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 4121418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).