1-benzyl-4-[(4-chlorophenyl)methylsulfanyl]pyrazolo[5,4-d]pyrimidine

C19H15ClN4S — CID 16729539

IUPAC1-benzyl-4-[(4-chlorophenyl)methylsulfanyl]pyrazolo[5,4-d]pyrimidine
SMILESClc1ccc(CSc2ncnc3c2cnn3Cc2ccccc2)cc1
InChIInChI=1S/C19H15ClN4S/c20-16-8-6-15(7-9-16)12-25-19-17-10-23-24(18(17)21-13-22-19)11-14-4-2-1-3-5-14/h1-10,13H,11-12H2
InChIKeyLPXCNAQKWUKNBK-UHFFFAOYSA-N
MW366.88 g/mol
LogP4.82
Rot. Bonds5

About 1-benzyl-4-[(4-chlorophenyl)methylsulfanyl]pyrazolo[5,4-d]pyrimidine

1-benzyl-4-[(4-chlorophenyl)methylsulfanyl]pyrazolo[5,4-d]pyrimidine (PubChem CID 16729539) has the molecular formula C19H15ClN4S and a molecular weight of 366.88 g/mol. Its IUPAC name is 1-benzyl-4-[(4-chlorophenyl)methylsulfanyl]pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-benzyl-4-[(4-chlorophenyl)methylsulfanyl]pyrazolo[5,4-d]pyrimidine
PubChem CID16729539
Molecular FormulaC19H15ClN4S
Molecular Weight366.88 g/mol
Exact Mass366.07
IUPAC Name1-benzyl-4-[(4-chlorophenyl)methylsulfanyl]pyrazolo[5,4-d]pyrimidine
SMILESClc1ccc(CSc2ncnc3c2cnn3Cc2ccccc2)cc1
InChIInChI=1S/C19H15ClN4S/c20-16-8-6-15(7-9-16)12-25-19-17-10-23-24(18(17)21-13-22-19)11-14-4-2-1-3-5-14/h1-10,13H,11-12H2
InChIKeyLPXCNAQKWUKNBK-UHFFFAOYSA-N
XLogP4.82
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.88
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-4-[(4-chlorophenyl)methylsulfanyl]pyrazolo[5,4-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

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(4-chlorophenyl)methylsulfanyl]pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-benzyl-4-[(4-chlorophenyl)methylsulfanyl]pyrazolo[5,4-d]pyrimidine (CID 16729539) is 1-benzyl-4-[(4-chlorophenyl)methylsulfanyl]pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-benzyl-4-[(4-chlorophenyl)methylsulfanyl]pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-benzyl-4-[(4-chlorophenyl)methylsulfanyl]pyrazolo[5,4-d]pyrimidine is Clc1ccc(CSc2ncnc3c2cnn3Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-4-[(4-chlorophenyl)methylsulfanyl]pyrazolo[5,4-d]pyrimidine?
The InChIKey is LPXCNAQKWUKNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4S/c20-16-8-6-15(7-9-16)12-25-19-17-10-23-24(18(17)21-13-22-19)11-14-4-2-1-3-5-14/h1-10,13H,11-12H2.
What are the key properties of 1-benzyl-4-[(4-chlorophenyl)methylsulfanyl]pyrazolo[5,4-d]pyrimidine?
1-benzyl-4-[(4-chlorophenyl)methylsulfanyl]pyrazolo[5,4-d]pyrimidine has a molecular weight of 366.88 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(4-chlorophenyl)methylsulfanyl]pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 16729539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).