4-chloro-2-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidine

C12H9ClN4O — CID 133108737

IUPAC4-chloro-2-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidine
SMILESCOc1ccc(-n2cc3c(Cl)ncnc3n2)cc1
InChIInChI=1S/C12H9ClN4O/c1-18-9-4-2-8(3-5-9)17-6-10-11(13)14-7-15-12(10)16-17/h2-7H,1H3
InChIKeyLHYVDXWATSYHNA-UHFFFAOYSA-N
MW260.68 g/mol
LogP2.48
Rot. Bonds2

About 4-chloro-2-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidine

4-chloro-2-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidine (PubChem CID 133108737) has the molecular formula C12H9ClN4O and a molecular weight of 260.68 g/mol. Its IUPAC name is 4-chloro-2-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidine
PubChem CID133108737
Molecular FormulaC12H9ClN4O
Molecular Weight260.68 g/mol
Exact Mass260.05
IUPAC Name4-chloro-2-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidine
SMILESCOc1ccc(-n2cc3c(Cl)ncnc3n2)cc1
InChIInChI=1S/C12H9ClN4O/c1-18-9-4-2-8(3-5-9)17-6-10-11(13)14-7-15-12(10)16-17/h2-7H,1H3
InChIKeyLHYVDXWATSYHNA-UHFFFAOYSA-N
XLogP2.48
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-(3-methoxyphenyl)-6-methylsulfanylpyrazolo[3,4-d]pyrimidine
CID 150578774
N-[1-(4-methoxyphenyl)ethyl]-1-[2-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
CID 50819290
4,6-dichloro-5-methoxypyrimidine;ethane
CID 144589632
3-chloro-1-(4-methoxyphenyl)-4-(4-phenylmethoxyphenyl)pyrazole
CID 141089729
7-(4-methoxyphenyl)-6-methylpurine
CID 134553225
4-chloro-8-(4-methoxyphenyl)quinazoline
CID 152605650
3-(3-chlorophenyl)-1-(4-methoxyphenyl)-4-phenylpyrazole
CID 166447647
3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-1-(4-methoxyphenyl)pyrazole
CID 56899595
6-chloro-7-(4-methoxyphenyl)-9H-purin-8-one
CID 132588144
6-fluoro-5-methoxy-2-(4-methoxyphenyl)indazole
CID 176556581
3-[1,4-bis(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylpropan-1-amine;hydrochloride
CID 3046975
4-(bromomethyl)-1-(4-methoxyphenyl)-3-methylpyrazole
CID 84617727

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 4-chloro-2-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidine (CID 133108737) is 4-chloro-2-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidine is COc1ccc(-n2cc3c(Cl)ncnc3n2)cc1.
What is the InChIKey of 4-chloro-2-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidine?
The InChIKey is LHYVDXWATSYHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O/c1-18-9-4-2-8(3-5-9)17-6-10-11(13)14-7-15-12(10)16-17/h2-7H,1H3.
What are the key properties of 4-chloro-2-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidine?
4-chloro-2-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidine has a molecular weight of 260.68 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 133108737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).