1-(piperidin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride

C20H22ClN7 — CID 70686739

IUPAC1-(piperidin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
SMILESCl.Nc1ncnc2c1c(-c1cnc3ccccc3c1)nn2CC1CCNCC1
InChIInChI=1S/C20H21N7.ClH/c21-19-17-18(15-9-14-3-1-2-4-16(14)23-10-15)26-27(20(17)25-12-24-19)11-13-5-7-22-8-6-13;/h1-4,9-10,12-13,22H,5-8,11H2,(H2,21,24,25);1H
InChIKeyAWMZNMFXCXHPHA-UHFFFAOYSA-N
MW395.90 g/mol
LogP3.05
Rot. Bonds3

About 1-(piperidin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride

1-(piperidin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride (PubChem CID 70686739) has the molecular formula C20H22ClN7 and a molecular weight of 395.90 g/mol. Its IUPAC name is 1-(piperidin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(piperidin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
PubChem CID70686739
Molecular FormulaC20H22ClN7
Molecular Weight395.90 g/mol
Exact Mass395.16
IUPAC Name1-(piperidin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
SMILESCl.Nc1ncnc2c1c(-c1cnc3ccccc3c1)nn2CC1CCNCC1
InChIInChI=1S/C20H21N7.ClH/c21-19-17-18(15-9-14-3-1-2-4-16(14)23-10-15)26-27(20(17)25-12-24-19)11-13-5-7-22-8-6-13;/h1-4,9-10,12-13,22H,5-8,11H2,(H2,21,24,25);1H
InChIKeyAWMZNMFXCXHPHA-UHFFFAOYSA-N
XLogP3.05
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.90
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of 1-(piperidin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride (CID 70686739) is 1-(piperidin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 1-(piperidin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 1-(piperidin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride is Cl.Nc1ncnc2c1c(-c1cnc3ccccc3c1)nn2CC1CCNCC1.
What is the InChIKey of 1-(piperidin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is AWMZNMFXCXHPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7.ClH/c21-19-17-18(15-9-14-3-1-2-4-16(14)23-10-15)26-27(20(17)25-12-24-19)11-13-5-7-22-8-6-13;/h1-4,9-10,12-13,22H,5-8,11H2,(H2,21,24,25);1H.
What are the key properties of 1-(piperidin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride?
1-(piperidin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 395.90 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 70686739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).