6-(2-morpholin-4-ylethylsulfanyl)-N-phenyl-1-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine

C26H30N6OS — CID 118725870

IUPAC6-(2-morpholin-4-ylethylsulfanyl)-N-phenyl-1-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(Cn1ncc2c(Nc3ccccc3)nc(SCCN3CCOCC3)nc21)c1ccccc1
InChIInChI=1S/C26H30N6OS/c1-20(21-8-4-2-5-9-21)19-32-25-23(18-27-32)24(28-22-10-6-3-7-11-22)29-26(30-25)34-17-14-31-12-15-33-16-13-31/h2-11,18,20H,12-17,19H2,1H3,(H,28,29,30)
InChIKeyXJFSIKHNSJQSFU-UHFFFAOYSA-N
MW474.63 g/mol
LogP4.80
Rot. Bonds9

About 6-(2-morpholin-4-ylethylsulfanyl)-N-phenyl-1-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine

6-(2-morpholin-4-ylethylsulfanyl)-N-phenyl-1-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 118725870) has the molecular formula C26H30N6OS and a molecular weight of 474.63 g/mol. Its IUPAC name is 6-(2-morpholin-4-ylethylsulfanyl)-N-phenyl-1-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-morpholin-4-ylethylsulfanyl)-N-phenyl-1-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID118725870
Molecular FormulaC26H30N6OS
Molecular Weight474.63 g/mol
Exact Mass474.22
IUPAC Name6-(2-morpholin-4-ylethylsulfanyl)-N-phenyl-1-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(Cn1ncc2c(Nc3ccccc3)nc(SCCN3CCOCC3)nc21)c1ccccc1
InChIInChI=1S/C26H30N6OS/c1-20(21-8-4-2-5-9-21)19-32-25-23(18-27-32)24(28-22-10-6-3-7-11-22)29-26(30-25)34-17-14-31-12-15-33-16-13-31/h2-11,18,20H,12-17,19H2,1H3,(H,28,29,30)
InChIKeyXJFSIKHNSJQSFU-UHFFFAOYSA-N
XLogP4.80
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.63
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(2-morpholin-4-ylethylsulfanyl)-N-phenyl-1-(2-phenylpropyl)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 6-(2-morpholin-4-ylethylsulfanyl)-N-phenyl-1-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-(2-morpholin-4-ylethylsulfanyl)-N-phenyl-1-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 118725870) is 6-(2-morpholin-4-ylethylsulfanyl)-N-phenyl-1-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(2-morpholin-4-ylethylsulfanyl)-N-phenyl-1-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-(2-morpholin-4-ylethylsulfanyl)-N-phenyl-1-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine is CC(Cn1ncc2c(Nc3ccccc3)nc(SCCN3CCOCC3)nc21)c1ccccc1.
What is the InChIKey of 6-(2-morpholin-4-ylethylsulfanyl)-N-phenyl-1-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is XJFSIKHNSJQSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6OS/c1-20(21-8-4-2-5-9-21)19-32-25-23(18-27-32)24(28-22-10-6-3-7-11-22)29-26(30-25)34-17-14-31-12-15-33-16-13-31/h2-11,18,20H,12-17,19H2,1H3,(H,28,29,30).
What are the key properties of 6-(2-morpholin-4-ylethylsulfanyl)-N-phenyl-1-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
6-(2-morpholin-4-ylethylsulfanyl)-N-phenyl-1-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 474.63 g/mol, XLogP of 4.80, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-morpholin-4-ylethylsulfanyl)-N-phenyl-1-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 118725870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).