6-(2-chlorophenoxy)-3-thiophen-2-yl-2H-pyrazolo[3,4-d]pyrimidine

C15H9ClN4OS — CID 59834341

IUPAC6-(2-chlorophenoxy)-3-thiophen-2-yl-2H-pyrazolo[3,4-d]pyrimidine
SMILESClc1ccccc1Oc1ncc2c(-c3cccs3)[nH]nc2n1
InChIInChI=1S/C15H9ClN4OS/c16-10-4-1-2-5-11(10)21-15-17-8-9-13(12-6-3-7-22-12)19-20-14(9)18-15/h1-8H,(H,17,18,19,20)
InChIKeyBFWONULHLHCBTI-UHFFFAOYSA-N
MW328.78 g/mol
LogP4.53
Rot. Bonds3

About 6-(2-chlorophenoxy)-3-thiophen-2-yl-2H-pyrazolo[3,4-d]pyrimidine

6-(2-chlorophenoxy)-3-thiophen-2-yl-2H-pyrazolo[3,4-d]pyrimidine (PubChem CID 59834341) has the molecular formula C15H9ClN4OS and a molecular weight of 328.78 g/mol. Its IUPAC name is 6-(2-chlorophenoxy)-3-thiophen-2-yl-2H-pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-(2-chlorophenoxy)-3-thiophen-2-yl-2H-pyrazolo[3,4-d]pyrimidine
PubChem CID59834341
Molecular FormulaC15H9ClN4OS
Molecular Weight328.78 g/mol
Exact Mass328.02
IUPAC Name6-(2-chlorophenoxy)-3-thiophen-2-yl-2H-pyrazolo[3,4-d]pyrimidine
SMILESClc1ccccc1Oc1ncc2c(-c3cccs3)[nH]nc2n1
InChIInChI=1S/C15H9ClN4OS/c16-10-4-1-2-5-11(10)21-15-17-8-9-13(12-6-3-7-22-12)19-20-14(9)18-15/h1-8H,(H,17,18,19,20)
InChIKeyBFWONULHLHCBTI-UHFFFAOYSA-N
XLogP4.53
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.78
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenoxy)-3-thiophen-2-yl-2H-pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 6-(2-chlorophenoxy)-3-thiophen-2-yl-2H-pyrazolo[3,4-d]pyrimidine (CID 59834341) is 6-(2-chlorophenoxy)-3-thiophen-2-yl-2H-pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 6-(2-chlorophenoxy)-3-thiophen-2-yl-2H-pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 6-(2-chlorophenoxy)-3-thiophen-2-yl-2H-pyrazolo[3,4-d]pyrimidine is Clc1ccccc1Oc1ncc2c(-c3cccs3)[nH]nc2n1.
What is the InChIKey of 6-(2-chlorophenoxy)-3-thiophen-2-yl-2H-pyrazolo[3,4-d]pyrimidine?
The InChIKey is BFWONULHLHCBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN4OS/c16-10-4-1-2-5-11(10)21-15-17-8-9-13(12-6-3-7-22-12)19-20-14(9)18-15/h1-8H,(H,17,18,19,20).
What are the key properties of 6-(2-chlorophenoxy)-3-thiophen-2-yl-2H-pyrazolo[3,4-d]pyrimidine?
6-(2-chlorophenoxy)-3-thiophen-2-yl-2H-pyrazolo[3,4-d]pyrimidine has a molecular weight of 328.78 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenoxy)-3-thiophen-2-yl-2H-pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 59834341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).