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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Related Compounds

US9669028, 183 3-(2-methoxyphenyl)-5-(thiophen-3-yl)-1H-pyrazolo[3,4-b]pyridine
CID 66556444
3-[2-Chloro-5-(Methylsulfonyl)phenyl]-6-(2,4-Difluorophenoxy)-1h-Pyrazolo[3,4-D]pyrimidine
CID 16045647
3-(2-methoxyphenyl)-4-(thiophen-3-yl)-1H-pyrazolo[3,4-b]pyridine
CID 76281130
3-(5-chloro-2-ethylsulfanyl-4-pyridinyl)-6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidine
CID 16045722
3-(2-chloro-4-methylsulfonylphenyl)-6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidine
CID 57758568
3-(2-chloro-5-methylsulfanyl-phenyl)-6-(2,4-difluoro-phenoxy)-1H-pyrazolo[3,4-d]pyrimidine
CID 57758576
3-(5-benzylsulfanyl-2-chlorophenyl)-6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidine
CID 57758595
6-(2-chlorophenoxy)-3-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidine
CID 59834282
6-(2-chlorophenoxy)-3-(3-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine
CID 59834352
6-(2-chlorophenoxy)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine
CID 59834370
6-(2-chlorophenoxy)-3-(2-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine
CID 59834409
4-(5-chlorothiophen-2-yl)-3-(4-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
CID 90226338

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).