1-ethyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea;hydrochloride

C15H24ClN7O — CID 71223167

IUPAC1-ethyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea;hydrochloride
SMILESCCNC(=O)Nc1ncnc2c1cnn2CCN1CCCCC1.Cl
InChIInChI=1S/C15H23N7O.ClH/c1-2-16-15(23)20-13-12-10-19-22(14(12)18-11-17-13)9-8-21-6-4-3-5-7-21;/h10-11H,2-9H2,1H3,(H2,16,17,18,20,23);1H
InChIKeyYGWUWPVFHDGEMV-UHFFFAOYSA-N
MW353.86 g/mol
LogP1.88
Rot. Bonds5

About 1-ethyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea;hydrochloride

1-ethyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea;hydrochloride (PubChem CID 71223167) has the molecular formula C15H24ClN7O and a molecular weight of 353.86 g/mol. Its IUPAC name is 1-ethyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea;hydrochloride.

Molecular Properties

Compound Name1-ethyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea;hydrochloride
PubChem CID71223167
Molecular FormulaC15H24ClN7O
Molecular Weight353.86 g/mol
Exact Mass353.17
IUPAC Name1-ethyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea;hydrochloride
SMILESCCNC(=O)Nc1ncnc2c1cnn2CCN1CCCCC1.Cl
InChIInChI=1S/C15H23N7O.ClH/c1-2-16-15(23)20-13-12-10-19-22(14(12)18-11-17-13)9-8-21-6-4-3-5-7-21;/h10-11H,2-9H2,1H3,(H2,16,17,18,20,23);1H
InChIKeyYGWUWPVFHDGEMV-UHFFFAOYSA-N
XLogP1.88
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.86
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea;hydrochloride?
The IUPAC name of 1-ethyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea;hydrochloride (CID 71223167) is 1-ethyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea;hydrochloride.
What is the SMILES notation for 1-ethyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea;hydrochloride?
The canonical SMILES for 1-ethyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea;hydrochloride is CCNC(=O)Nc1ncnc2c1cnn2CCN1CCCCC1.Cl.
What is the InChIKey of 1-ethyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea;hydrochloride?
The InChIKey is YGWUWPVFHDGEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O.ClH/c1-2-16-15(23)20-13-12-10-19-22(14(12)18-11-17-13)9-8-21-6-4-3-5-7-21;/h10-11H,2-9H2,1H3,(H2,16,17,18,20,23);1H.
What are the key properties of 1-ethyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea;hydrochloride?
1-ethyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea;hydrochloride has a molecular weight of 353.86 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea;hydrochloride is sourced from PubChem (CID 71223167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).