4-benzylsulfanyl-1-[(4-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidine

C19H15ClN4S — CID 16729530

IUPAC4-benzylsulfanyl-1-[(4-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidine
SMILESClc1ccc(Cn2ncc3c(SCc4ccccc4)ncnc32)cc1
InChIInChI=1S/C19H15ClN4S/c20-16-8-6-14(7-9-16)11-24-18-17(10-23-24)19(22-13-21-18)25-12-15-4-2-1-3-5-15/h1-10,13H,11-12H2
InChIKeyFCXDDVDGQYOQDK-UHFFFAOYSA-N
MW366.88 g/mol
LogP4.82
Rot. Bonds5

About 4-benzylsulfanyl-1-[(4-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidine

4-benzylsulfanyl-1-[(4-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidine (PubChem CID 16729530) has the molecular formula C19H15ClN4S and a molecular weight of 366.88 g/mol. Its IUPAC name is 4-benzylsulfanyl-1-[(4-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-benzylsulfanyl-1-[(4-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidine
PubChem CID16729530
Molecular FormulaC19H15ClN4S
Molecular Weight366.88 g/mol
Exact Mass366.07
IUPAC Name4-benzylsulfanyl-1-[(4-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidine
SMILESClc1ccc(Cn2ncc3c(SCc4ccccc4)ncnc32)cc1
InChIInChI=1S/C19H15ClN4S/c20-16-8-6-14(7-9-16)11-24-18-17(10-23-24)19(22-13-21-18)25-12-15-4-2-1-3-5-15/h1-10,13H,11-12H2
InChIKeyFCXDDVDGQYOQDK-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

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Frequently Asked Questions

What is the IUPAC name of 4-benzylsulfanyl-1-[(4-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-benzylsulfanyl-1-[(4-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidine (CID 16729530) is 4-benzylsulfanyl-1-[(4-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-benzylsulfanyl-1-[(4-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-benzylsulfanyl-1-[(4-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidine is Clc1ccc(Cn2ncc3c(SCc4ccccc4)ncnc32)cc1.
What is the InChIKey of 4-benzylsulfanyl-1-[(4-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidine?
The InChIKey is FCXDDVDGQYOQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4S/c20-16-8-6-14(7-9-16)11-24-18-17(10-23-24)19(22-13-21-18)25-12-15-4-2-1-3-5-15/h1-10,13H,11-12H2.
What are the key properties of 4-benzylsulfanyl-1-[(4-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidine?
4-benzylsulfanyl-1-[(4-chlorophenyl)methyl]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 4-benzylsulfanyl-1-[(4-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 16729530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).