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

C18H27N7O — CID 71223206

IUPAC1-cyclopentyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea
SMILESO=C(Nc1ncnc2c1cnn2CCN1CCCCC1)NC1CCCC1
InChIInChI=1S/C18H27N7O/c26-18(22-14-6-2-3-7-14)23-16-15-12-21-25(17(15)20-13-19-16)11-10-24-8-4-1-5-9-24/h12-14H,1-11H2,(H2,19,20,22,23,26)
InChIKeyDEJCRFGJELJEKJ-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.38
Rot. Bonds5

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

1-cyclopentyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea (PubChem CID 71223206) has the molecular formula C18H27N7O and a molecular weight of 357.46 g/mol. Its IUPAC name is 1-cyclopentyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea
PubChem CID71223206
Molecular FormulaC18H27N7O
Molecular Weight357.46 g/mol
Exact Mass357.23
IUPAC Name1-cyclopentyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea
SMILESO=C(Nc1ncnc2c1cnn2CCN1CCCCC1)NC1CCCC1
InChIInChI=1S/C18H27N7O/c26-18(22-14-6-2-3-7-14)23-16-15-12-21-25(17(15)20-13-19-16)11-10-24-8-4-1-5-9-24/h12-14H,1-11H2,(H2,19,20,22,23,26)
InChIKeyDEJCRFGJELJEKJ-UHFFFAOYSA-N
XLogP2.38
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea?
The IUPAC name of 1-cyclopentyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea (CID 71223206) is 1-cyclopentyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea?
The canonical SMILES for 1-cyclopentyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea is O=C(Nc1ncnc2c1cnn2CCN1CCCCC1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea?
The InChIKey is DEJCRFGJELJEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7O/c26-18(22-14-6-2-3-7-14)23-16-15-12-21-25(17(15)20-13-19-16)11-10-24-8-4-1-5-9-24/h12-14H,1-11H2,(H2,19,20,22,23,26).
What are the key properties of 1-cyclopentyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea?
1-cyclopentyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea has a molecular weight of 357.46 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea is sourced from PubChem (CID 71223206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).