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

C20H25N5O — CID 74767125

IUPAC4-(2-ethoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
SMILESCCOc1ccccc1-c1ncnc2c1cnn2CCN1CCCCC1
InChIInChI=1S/C20H25N5O/c1-2-26-18-9-5-4-8-16(18)19-17-14-23-25(20(17)22-15-21-19)13-12-24-10-6-3-7-11-24/h4-5,8-9,14-15H,2-3,6-7,10-13H2,1H3
InChIKeyOSQZFKDUYQWOQZ-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.38
Rot. Bonds6

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

4-(2-ethoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine (PubChem CID 74767125) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-(2-ethoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-(2-ethoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
PubChem CID74767125
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name4-(2-ethoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
SMILESCCOc1ccccc1-c1ncnc2c1cnn2CCN1CCCCC1
InChIInChI=1S/C20H25N5O/c1-2-26-18-9-5-4-8-16(18)19-17-14-23-25(20(17)22-15-21-19)13-12-24-10-6-3-7-11-24/h4-5,8-9,14-15H,2-3,6-7,10-13H2,1H3
InChIKeyOSQZFKDUYQWOQZ-UHFFFAOYSA-N
XLogP3.38
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 4-(2-ethoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine (CID 74767125) is 4-(2-ethoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-(2-ethoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 4-(2-ethoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine is CCOc1ccccc1-c1ncnc2c1cnn2CCN1CCCCC1.
What is the InChIKey of 4-(2-ethoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine?
The InChIKey is OSQZFKDUYQWOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-2-26-18-9-5-4-8-16(18)19-17-14-23-25(20(17)22-15-21-19)13-12-24-10-6-3-7-11-24/h4-5,8-9,14-15H,2-3,6-7,10-13H2,1H3.
What are the key properties of 4-(2-ethoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine?
4-(2-ethoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine has a molecular weight of 351.45 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 74767125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).