4-(4-chlorophenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine

C18H20ClN5 — CID 74767208

IUPAC4-(4-chlorophenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
SMILESClc1ccc(-c2ncnc3c2cnn3CCN2CCCCC2)cc1
InChIInChI=1S/C18H20ClN5/c19-15-6-4-14(5-7-15)17-16-12-22-24(18(16)21-13-20-17)11-10-23-8-2-1-3-9-23/h4-7,12-13H,1-3,8-11H2
InChIKeyBAOSXLNNTDGXRK-UHFFFAOYSA-N
MW341.85 g/mol
LogP3.63
Rot. Bonds4

About 4-(4-chlorophenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine

4-(4-chlorophenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine (PubChem CID 74767208) has the molecular formula C18H20ClN5 and a molecular weight of 341.85 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
PubChem CID74767208
Molecular FormulaC18H20ClN5
Molecular Weight341.85 g/mol
Exact Mass341.14
IUPAC Name4-(4-chlorophenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
SMILESClc1ccc(-c2ncnc3c2cnn3CCN2CCCCC2)cc1
InChIInChI=1S/C18H20ClN5/c19-15-6-4-14(5-7-15)17-16-12-22-24(18(16)21-13-20-17)11-10-23-8-2-1-3-9-23/h4-7,12-13H,1-3,8-11H2
InChIKeyBAOSXLNNTDGXRK-UHFFFAOYSA-N
XLogP3.63
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.85
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-Chlorophenyl)-1-(1,1-dimethylethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 4878
6-chloro-7-(4-(4-chlorobenzyl)piperazin-1-yl)-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo(4,5-b)pyridine
CID 71454279
2-(4-Chlorophenyl)(1,2,4)triazolo(5,1-a)isoquinoline
CID 68866
1-Tert-Butyl-3-[(3-Chlorophenyl)methyl]-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 59633494
5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 21066087
N-[(4-Chlorophenyl)methyl]-1-Methyl-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 228292
1-[(4-Chlorophenyl)methyl]-4-[4-(2-methylphenyl)-1-piperazinyl]pyrazolo[3,4-d]pyrimidine
CID 1542103
PF-04981517
CID 71315139
4-[6-(4-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329455
Pyrazolo[1,5-a]pyrimidine, 3-phenyl-6-(4-pyridinyl)-
CID 5329460
2-{3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl}pyridine
CID 5329461
4-[3-(3-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329463

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 4-(4-chlorophenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine (CID 74767208) is 4-(4-chlorophenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-(4-chlorophenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 4-(4-chlorophenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine is Clc1ccc(-c2ncnc3c2cnn3CCN2CCCCC2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine?
The InChIKey is BAOSXLNNTDGXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5/c19-15-6-4-14(5-7-15)17-16-12-22-24(18(16)21-13-20-17)11-10-23-8-2-1-3-9-23/h4-7,12-13H,1-3,8-11H2.
What are the key properties of 4-(4-chlorophenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine?
4-(4-chlorophenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine has a molecular weight of 341.85 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 74767208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).