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

C19H14Cl2N4S — CID 16729540

IUPAC1-[(4-chlorophenyl)methyl]-4-[(4-chlorophenyl)methylsulfanyl]pyrazolo[5,4-d]pyrimidine
SMILESClc1ccc(CSc2ncnc3c2cnn3Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H14Cl2N4S/c20-15-5-1-13(2-6-15)10-25-18-17(9-24-25)19(23-12-22-18)26-11-14-3-7-16(21)8-4-14/h1-9,12H,10-11H2
InChIKeyVYNCYXAQHNQTHH-UHFFFAOYSA-N
MW401.32 g/mol
LogP5.47
Rot. Bonds5

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

1-[(4-chlorophenyl)methyl]-4-[(4-chlorophenyl)methylsulfanyl]pyrazolo[5,4-d]pyrimidine (PubChem CID 16729540) has the molecular formula C19H14Cl2N4S and a molecular weight of 401.32 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-4-[(4-chlorophenyl)methylsulfanyl]pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-4-[(4-chlorophenyl)methylsulfanyl]pyrazolo[5,4-d]pyrimidine
PubChem CID16729540
Molecular FormulaC19H14Cl2N4S
Molecular Weight401.32 g/mol
Exact Mass400.03
IUPAC Name1-[(4-chlorophenyl)methyl]-4-[(4-chlorophenyl)methylsulfanyl]pyrazolo[5,4-d]pyrimidine
SMILESClc1ccc(CSc2ncnc3c2cnn3Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H14Cl2N4S/c20-15-5-1-13(2-6-15)10-25-18-17(9-24-25)19(23-12-22-18)26-11-14-3-7-16(21)8-4-14/h1-9,12H,10-11H2
InChIKeyVYNCYXAQHNQTHH-UHFFFAOYSA-N
XLogP5.47
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.32
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(4-chlorophenyl)methyl]-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

Related Compounds

1-benzyl-4-[(2,6-dichlorophenyl)methylsulfanyl]pyrazolo[5,4-d]pyrimidine
CID 2045522
1-benzyl-4-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyrazolo[5,4-d]pyrimidine
CID 2048750
1-methyl-4-[[4-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]phenyl]methylsulfanyl]pyrazolo[5,4-d]pyrimidine
CID 42103948
1-benzyl-4-(cyclopropylmethylsulfanyl)pyrazolo[5,4-d]pyrimidine
CID 16729550
2-[(4-benzylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethanol
CID 10543431
4-chloro-1-[(4-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidine
CID 55172408
2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-1-(3,4-dichlorophenyl)ethanone
CID 3697462
1-(4-chlorophenyl)-4-ethylsulfanylpyrazolo[5,4-d]pyrimidine
CID 7199843
2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(3-chlorophenyl)acetamide
CID 3533533
2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 4017402
1-methyl-4-[[3-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]phenyl]methylsulfanyl]pyrazolo[5,4-d]pyrimidine
CID 42103987
4-[(4-chlorophenyl)methylsulfanyl]-6-ethylthieno[2,3-d]pyrimidine
CID 962610

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-4-[(4-chlorophenyl)methylsulfanyl]pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-4-[(4-chlorophenyl)methylsulfanyl]pyrazolo[5,4-d]pyrimidine (CID 16729540) is 1-[(4-chlorophenyl)methyl]-4-[(4-chlorophenyl)methylsulfanyl]pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-4-[(4-chlorophenyl)methylsulfanyl]pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-4-[(4-chlorophenyl)methylsulfanyl]pyrazolo[5,4-d]pyrimidine is Clc1ccc(CSc2ncnc3c2cnn3Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-4-[(4-chlorophenyl)methylsulfanyl]pyrazolo[5,4-d]pyrimidine?
The InChIKey is VYNCYXAQHNQTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N4S/c20-15-5-1-13(2-6-15)10-25-18-17(9-24-25)19(23-12-22-18)26-11-14-3-7-16(21)8-4-14/h1-9,12H,10-11H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-4-[(4-chlorophenyl)methylsulfanyl]pyrazolo[5,4-d]pyrimidine?
1-[(4-chlorophenyl)methyl]-4-[(4-chlorophenyl)methylsulfanyl]pyrazolo[5,4-d]pyrimidine has a molecular weight of 401.32 g/mol, XLogP of 5.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-4-[(4-chlorophenyl)methylsulfanyl]pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 16729540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).