1-(2-piperidin-1-ylethyl)-4-pyridin-2-ylpyrazolo[3,4-d]pyrimidine

C17H20N6 — CID 90146246

IUPAC1-(2-piperidin-1-ylethyl)-4-pyridin-2-ylpyrazolo[3,4-d]pyrimidine
SMILESc1ccc(-c2ncnc3c2cnn3CCN2CCCCC2)nc1
InChIInChI=1S/C17H20N6/c1-4-8-22(9-5-1)10-11-23-17-14(12-21-23)16(19-13-20-17)15-6-2-3-7-18-15/h2-3,6-7,12-13H,1,4-5,8-11H2
InChIKeyDVHZJSVERMNRTN-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.37
Rot. Bonds4

About 1-(2-piperidin-1-ylethyl)-4-pyridin-2-ylpyrazolo[3,4-d]pyrimidine

1-(2-piperidin-1-ylethyl)-4-pyridin-2-ylpyrazolo[3,4-d]pyrimidine (PubChem CID 90146246) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is 1-(2-piperidin-1-ylethyl)-4-pyridin-2-ylpyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name1-(2-piperidin-1-ylethyl)-4-pyridin-2-ylpyrazolo[3,4-d]pyrimidine
PubChem CID90146246
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Name1-(2-piperidin-1-ylethyl)-4-pyridin-2-ylpyrazolo[3,4-d]pyrimidine
SMILESc1ccc(-c2ncnc3c2cnn3CCN2CCCCC2)nc1
InChIInChI=1S/C17H20N6/c1-4-8-22(9-5-1)10-11-23-17-14(12-21-23)16(19-13-20-17)15-6-2-3-7-18-15/h2-3,6-7,12-13H,1,4-5,8-11H2
InChIKeyDVHZJSVERMNRTN-UHFFFAOYSA-N
XLogP2.37
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-1-ylethyl)-4-pyridin-2-ylpyrazolo[3,4-d]pyrimidine?
The IUPAC name of 1-(2-piperidin-1-ylethyl)-4-pyridin-2-ylpyrazolo[3,4-d]pyrimidine (CID 90146246) is 1-(2-piperidin-1-ylethyl)-4-pyridin-2-ylpyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 1-(2-piperidin-1-ylethyl)-4-pyridin-2-ylpyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 1-(2-piperidin-1-ylethyl)-4-pyridin-2-ylpyrazolo[3,4-d]pyrimidine is c1ccc(-c2ncnc3c2cnn3CCN2CCCCC2)nc1.
What is the InChIKey of 1-(2-piperidin-1-ylethyl)-4-pyridin-2-ylpyrazolo[3,4-d]pyrimidine?
The InChIKey is DVHZJSVERMNRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6/c1-4-8-22(9-5-1)10-11-23-17-14(12-21-23)16(19-13-20-17)15-6-2-3-7-18-15/h2-3,6-7,12-13H,1,4-5,8-11H2.
What are the key properties of 1-(2-piperidin-1-ylethyl)-4-pyridin-2-ylpyrazolo[3,4-d]pyrimidine?
1-(2-piperidin-1-ylethyl)-4-pyridin-2-ylpyrazolo[3,4-d]pyrimidine has a molecular weight of 308.39 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-1-ylethyl)-4-pyridin-2-ylpyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 90146246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).