4-piperidin-1-yl-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine

C17H26N6 — CID 71225871

IUPAC4-piperidin-1-yl-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine
SMILESc1nc(N2CCCCC2)c2cnn(CCN3CCCCC3)c2n1
InChIInChI=1S/C17H26N6/c1-3-7-21(8-4-1)11-12-23-17-15(13-20-23)16(18-14-19-17)22-9-5-2-6-10-22/h13-14H,1-12H2
InChIKeyQJWMLQMNHOOAJB-UHFFFAOYSA-N
MW314.44 g/mol
LogP2.30
Rot. Bonds4

About 4-piperidin-1-yl-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine

4-piperidin-1-yl-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine (PubChem CID 71225871) has the molecular formula C17H26N6 and a molecular weight of 314.44 g/mol. Its IUPAC name is 4-piperidin-1-yl-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-piperidin-1-yl-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine
PubChem CID71225871
Molecular FormulaC17H26N6
Molecular Weight314.44 g/mol
Exact Mass314.22
IUPAC Name4-piperidin-1-yl-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine
SMILESc1nc(N2CCCCC2)c2cnn(CCN3CCCCC3)c2n1
InChIInChI=1S/C17H26N6/c1-3-7-21(8-4-1)11-12-23-17-15(13-20-23)16(18-14-19-17)22-9-5-2-6-10-22/h13-14H,1-12H2
InChIKeyQJWMLQMNHOOAJB-UHFFFAOYSA-N
XLogP2.30
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-piperidin-1-yl-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine (CID 71225871) is 4-piperidin-1-yl-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-piperidin-1-yl-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-piperidin-1-yl-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine is c1nc(N2CCCCC2)c2cnn(CCN3CCCCC3)c2n1.
What is the InChIKey of 4-piperidin-1-yl-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine?
The InChIKey is QJWMLQMNHOOAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6/c1-3-7-21(8-4-1)11-12-23-17-15(13-20-23)16(18-14-19-17)22-9-5-2-6-10-22/h13-14H,1-12H2.
What are the key properties of 4-piperidin-1-yl-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine?
4-piperidin-1-yl-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine has a molecular weight of 314.44 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 71225871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).