3-bromo-1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride

C10H14BrClN6 — CID 126509833

IUPAC3-bromo-1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
SMILESCl.Nc1ncnc2c1c(Br)nn2C1CCCNC1
InChIInChI=1S/C10H13BrN6.ClH/c11-8-7-9(12)14-5-15-10(7)17(16-8)6-2-1-3-13-4-6;/h5-6,13H,1-4H2,(H2,12,14,15);1H
InChIKeyAUDJPZVLUGLWGR-UHFFFAOYSA-N
MW333.62 g/mol
LogP1.52
Rot. Bonds1

About 3-bromo-1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride

3-bromo-1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride (PubChem CID 126509833) has the molecular formula C10H14BrClN6 and a molecular weight of 333.62 g/mol. Its IUPAC name is 3-bromo-1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name3-bromo-1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
PubChem CID126509833
Molecular FormulaC10H14BrClN6
Molecular Weight333.62 g/mol
Exact Mass332.02
IUPAC Name3-bromo-1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
SMILESCl.Nc1ncnc2c1c(Br)nn2C1CCCNC1
InChIInChI=1S/C10H13BrN6.ClH/c11-8-7-9(12)14-5-15-10(7)17(16-8)6-2-1-3-13-4-6;/h5-6,13H,1-4H2,(H2,12,14,15);1H
InChIKeyAUDJPZVLUGLWGR-UHFFFAOYSA-N
XLogP1.52
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.62
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3R)-3-(4-amino-3-bromopyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]-3-chloropropan-1-one;3-bromo-1-[(3R)-piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine;3-chloropropanoyl chloride
CID 160628486
3-(4-methoxyphenyl)-1-[(3R)-piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 71514022
3-(4-methylsulfinylphenyl)-1-[(3R)-piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
CID 71514501
3-(6-methoxy-3-pyridinyl)-1-[(3R)-piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 71514262
3-ethyl-1-pyrrolidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 123186043
1-[(3R)-piperidin-3-yl]-3-[3-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
CID 71514253
9-[(3S)-piperidin-3-yl]purin-6-amine
CID 51050700
3-bromo-1-(1-nitrosopiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 130331581
3-methyl-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 144611389
3-(4-amino-1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclohexylbenzamide
CID 71512455
2-[4-(4-amino-3-bromopyrazolo[3,4-d]pyrimidin-1-yl)cyclohexylidene]acetohydrazide
CID 156644177
3-[4-(2,3-difluorophenoxy)-2-fluorophenyl]-1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 71015156

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of 3-bromo-1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride (CID 126509833) is 3-bromo-1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 3-bromo-1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 3-bromo-1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride is Cl.Nc1ncnc2c1c(Br)nn2C1CCCNC1.
What is the InChIKey of 3-bromo-1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is AUDJPZVLUGLWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN6.ClH/c11-8-7-9(12)14-5-15-10(7)17(16-8)6-2-1-3-13-4-6;/h5-6,13H,1-4H2,(H2,12,14,15);1H.
What are the key properties of 3-bromo-1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride?
3-bromo-1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 333.62 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 126509833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).