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

C18H20ClN5 — CID 74767363

IUPAC4-(2-chlorophenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
SMILESClc1ccccc1-c1ncnc2c1cnn2CCN1CCCCC1
InChIInChI=1S/C18H20ClN5/c19-16-7-3-2-6-14(16)17-15-12-22-24(18(15)21-13-20-17)11-10-23-8-4-1-5-9-23/h2-3,6-7,12-13H,1,4-5,8-11H2
InChIKeyNMTSIFPNIVXUAQ-UHFFFAOYSA-N
MW341.85 g/mol
LogP3.63
Rot. Bonds4

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

4-(2-chlorophenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine (PubChem CID 74767363) has the molecular formula C18H20ClN5 and a molecular weight of 341.85 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
PubChem CID74767363
Molecular FormulaC18H20ClN5
Molecular Weight341.85 g/mol
Exact Mass341.14
IUPAC Name4-(2-chlorophenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
SMILESClc1ccccc1-c1ncnc2c1cnn2CCN1CCCCC1
InChIInChI=1S/C18H20ClN5/c19-16-7-3-2-6-14(16)17-15-12-22-24(18(15)21-13-20-17)11-10-23-8-4-1-5-9-23/h2-3,6-7,12-13H,1,4-5,8-11H2
InChIKeyNMTSIFPNIVXUAQ-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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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 4-(2-chlorophenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine (CID 74767363) is 4-(2-chlorophenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-(2-chlorophenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 4-(2-chlorophenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine is Clc1ccccc1-c1ncnc2c1cnn2CCN1CCCCC1.
What is the InChIKey of 4-(2-chlorophenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine?
The InChIKey is NMTSIFPNIVXUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5/c19-16-7-3-2-6-14(16)17-15-12-22-24(18(15)21-13-20-17)11-10-23-8-4-1-5-9-23/h2-3,6-7,12-13H,1,4-5,8-11H2.
What are the key properties of 4-(2-chlorophenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine?
4-(2-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-(2-chlorophenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 74767363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).