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

C15H23N7O — CID 71223168

IUPAC1-ethyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea
SMILESCCNC(=O)Nc1ncnc2c1cnn2CCN1CCCCC1
InChIInChI=1S/C15H23N7O/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)
InChIKeyDUVUROKKHZRURZ-UHFFFAOYSA-N
MW317.40 g/mol
LogP1.45
Rot. Bonds5

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

1-ethyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea (PubChem CID 71223168) has the molecular formula C15H23N7O and a molecular weight of 317.40 g/mol. Its IUPAC name is 1-ethyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea
PubChem CID71223168
Molecular FormulaC15H23N7O
Molecular Weight317.40 g/mol
Exact Mass317.20
IUPAC Name1-ethyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea
SMILESCCNC(=O)Nc1ncnc2c1cnn2CCN1CCCCC1
InChIInChI=1S/C15H23N7O/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)
InChIKeyDUVUROKKHZRURZ-UHFFFAOYSA-N
XLogP1.45
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 51.45
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?
The IUPAC name of 1-ethyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea (CID 71223168) is 1-ethyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea.
What is the SMILES notation for 1-ethyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea?
The canonical SMILES for 1-ethyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea is CCNC(=O)Nc1ncnc2c1cnn2CCN1CCCCC1.
What is the InChIKey of 1-ethyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea?
The InChIKey is DUVUROKKHZRURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O/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).
What are the key properties of 1-ethyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea?
1-ethyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea has a molecular weight of 317.40 g/mol, XLogP of 1.45, 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 is sourced from PubChem (CID 71223168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).