1-(cyclohexylmethyl)-N-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-6-amine;hydrochloride

C17H27ClN6 — CID 172599757

IUPAC1-(cyclohexylmethyl)-N-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-6-amine;hydrochloride
SMILESCl.c1nc(NC2CCNCC2)nc2c1cnn2CC1CCCCC1
InChIInChI=1S/C17H26N6.ClH/c1-2-4-13(5-3-1)12-23-16-14(11-20-23)10-19-17(22-16)21-15-6-8-18-9-7-15;/h10-11,13,15,18H,1-9,12H2,(H,19,21,22);1H
InChIKeyRRABEWIBKUHNCY-UHFFFAOYSA-N
MW350.90 g/mol
LogP2.99
Rot. Bonds4

About 1-(cyclohexylmethyl)-N-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-6-amine;hydrochloride

1-(cyclohexylmethyl)-N-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-6-amine;hydrochloride (PubChem CID 172599757) has the molecular formula C17H27ClN6 and a molecular weight of 350.90 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-6-amine;hydrochloride.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-6-amine;hydrochloride
PubChem CID172599757
Molecular FormulaC17H27ClN6
Molecular Weight350.90 g/mol
Exact Mass350.20
IUPAC Name1-(cyclohexylmethyl)-N-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-6-amine;hydrochloride
SMILESCl.c1nc(NC2CCNCC2)nc2c1cnn2CC1CCCCC1
InChIInChI=1S/C17H26N6.ClH/c1-2-4-13(5-3-1)12-23-16-14(11-20-23)10-19-17(22-16)21-15-6-8-18-9-7-15;/h10-11,13,15,18H,1-9,12H2,(H,19,21,22);1H
InChIKeyRRABEWIBKUHNCY-UHFFFAOYSA-N
XLogP2.99
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.90
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-6-amine;hydrochloride?
The IUPAC name of 1-(cyclohexylmethyl)-N-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-6-amine;hydrochloride (CID 172599757) is 1-(cyclohexylmethyl)-N-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-6-amine;hydrochloride.
What is the SMILES notation for 1-(cyclohexylmethyl)-N-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-6-amine;hydrochloride?
The canonical SMILES for 1-(cyclohexylmethyl)-N-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-6-amine;hydrochloride is Cl.c1nc(NC2CCNCC2)nc2c1cnn2CC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethyl)-N-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-6-amine;hydrochloride?
The InChIKey is RRABEWIBKUHNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6.ClH/c1-2-4-13(5-3-1)12-23-16-14(11-20-23)10-19-17(22-16)21-15-6-8-18-9-7-15;/h10-11,13,15,18H,1-9,12H2,(H,19,21,22);1H.
What are the key properties of 1-(cyclohexylmethyl)-N-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-6-amine;hydrochloride?
1-(cyclohexylmethyl)-N-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-6-amine;hydrochloride has a molecular weight of 350.90 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-6-amine;hydrochloride is sourced from PubChem (CID 172599757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).