3-chloro-1-methyl-6-methylsulfonylpyrazolo[3,4-d]pyrimidine

C7H7ClN4O2S — CID 21098061

IUPAC3-chloro-1-methyl-6-methylsulfonylpyrazolo[3,4-d]pyrimidine
SMILESCn1nc(Cl)c2cnc(S(C)(=O)=O)nc21
InChIInChI=1S/C7H7ClN4O2S/c1-12-6-4(5(8)11-12)3-9-7(10-6)15(2,13)14/h3H,1-2H3
InChIKeyOHTYQMYEZOYBHK-UHFFFAOYSA-N
MW246.68 g/mol
LogP0.42
Rot. Bonds1

About 3-chloro-1-methyl-6-methylsulfonylpyrazolo[3,4-d]pyrimidine

3-chloro-1-methyl-6-methylsulfonylpyrazolo[3,4-d]pyrimidine (PubChem CID 21098061) has the molecular formula C7H7ClN4O2S and a molecular weight of 246.68 g/mol. Its IUPAC name is 3-chloro-1-methyl-6-methylsulfonylpyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name3-chloro-1-methyl-6-methylsulfonylpyrazolo[3,4-d]pyrimidine
PubChem CID21098061
Molecular FormulaC7H7ClN4O2S
Molecular Weight246.68 g/mol
Exact Mass246.00
IUPAC Name3-chloro-1-methyl-6-methylsulfonylpyrazolo[3,4-d]pyrimidine
SMILESCn1nc(Cl)c2cnc(S(C)(=O)=O)nc21
InChIInChI=1S/C7H7ClN4O2S/c1-12-6-4(5(8)11-12)3-9-7(10-6)15(2,13)14/h3H,1-2H3
InChIKeyOHTYQMYEZOYBHK-UHFFFAOYSA-N
XLogP0.42
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.68
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-chloro-1-methyl-6-methylsulfonylpyrazolo[3,4-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 3-chloro-1-methyl-6-methylsulfonylpyrazolo[3,4-d]pyrimidine?
The IUPAC name of 3-chloro-1-methyl-6-methylsulfonylpyrazolo[3,4-d]pyrimidine (CID 21098061) is 3-chloro-1-methyl-6-methylsulfonylpyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 3-chloro-1-methyl-6-methylsulfonylpyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 3-chloro-1-methyl-6-methylsulfonylpyrazolo[3,4-d]pyrimidine is Cn1nc(Cl)c2cnc(S(C)(=O)=O)nc21.
What is the InChIKey of 3-chloro-1-methyl-6-methylsulfonylpyrazolo[3,4-d]pyrimidine?
The InChIKey is OHTYQMYEZOYBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN4O2S/c1-12-6-4(5(8)11-12)3-9-7(10-6)15(2,13)14/h3H,1-2H3.
What are the key properties of 3-chloro-1-methyl-6-methylsulfonylpyrazolo[3,4-d]pyrimidine?
3-chloro-1-methyl-6-methylsulfonylpyrazolo[3,4-d]pyrimidine has a molecular weight of 246.68 g/mol, XLogP of 0.42, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-methyl-6-methylsulfonylpyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 21098061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).