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

C17H10ClFN4O — CID 59834370

IUPAC6-(2-chlorophenoxy)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine
SMILESFc1ccc(-c2[nH]nc3nc(Oc4ccccc4Cl)ncc23)cc1
InChIInChI=1S/C17H10ClFN4O/c18-13-3-1-2-4-14(13)24-17-20-9-12-15(22-23-16(12)21-17)10-5-7-11(19)8-6-10/h1-9H,(H,20,21,22,23)
InChIKeyYAYDDMLCZGBDCQ-UHFFFAOYSA-N
MW340.75 g/mol
LogP4.60
Rot. Bonds3

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

6-(2-chlorophenoxy)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine (PubChem CID 59834370) has the molecular formula C17H10ClFN4O and a molecular weight of 340.75 g/mol. Its IUPAC name is 6-(2-chlorophenoxy)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-(2-chlorophenoxy)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine
PubChem CID59834370
Molecular FormulaC17H10ClFN4O
Molecular Weight340.75 g/mol
Exact Mass340.05
IUPAC Name6-(2-chlorophenoxy)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine
SMILESFc1ccc(-c2[nH]nc3nc(Oc4ccccc4Cl)ncc23)cc1
InChIInChI=1S/C17H10ClFN4O/c18-13-3-1-2-4-14(13)24-17-20-9-12-15(22-23-16(12)21-17)10-5-7-11(19)8-6-10/h1-9H,(H,20,21,22,23)
InChIKeyYAYDDMLCZGBDCQ-UHFFFAOYSA-N
XLogP4.60
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.75
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-phenoxyphenyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 22346757
N-(3-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 5327841
3-chloro-5-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-3-ylmethyl)phenoxy]benzonitrile
CID 57402424
[3-Chloro-4-(3-fluoro-benzyloxy)-phenyl]-(1,3,8a,9-tetraaza-fluoren-4-yl)-amine
CID 11524582
3-(3-(benzyloxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905264
1-(3-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 16033972
4-(2-chlorophenoxy)-N-[1-(1H-indazol-3-ylmethyl)-4-piperidyl]pyrimidin-2-amine
CID 155924209
6-(4-Chlorophenyl)-3-(2-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 989277
3-(4-Chlorophenyl)-5-(3-fluoro-4-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrimidine
CID 3819584
N-(3-chloro-4-methoxyphenyl)-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 7205529
3-(4-chlorophenyl)-4-(5-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
CID 155554272
N-(3-chloro-4-methoxyphenyl)-1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 1985618

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenoxy)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 6-(2-chlorophenoxy)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine (CID 59834370) is 6-(2-chlorophenoxy)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 6-(2-chlorophenoxy)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 6-(2-chlorophenoxy)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine is Fc1ccc(-c2[nH]nc3nc(Oc4ccccc4Cl)ncc23)cc1.
What is the InChIKey of 6-(2-chlorophenoxy)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine?
The InChIKey is YAYDDMLCZGBDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClFN4O/c18-13-3-1-2-4-14(13)24-17-20-9-12-15(22-23-16(12)21-17)10-5-7-11(19)8-6-10/h1-9H,(H,20,21,22,23).
What are the key properties of 6-(2-chlorophenoxy)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine?
6-(2-chlorophenoxy)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine has a molecular weight of 340.75 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenoxy)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 59834370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).