N-(3,3-difluoropiperidin-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C11H14F2N6 — CID 145134224

IUPACN-(3,3-difluoropiperidin-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NC3CCNCC3(F)F)ncnc21
InChIInChI=1S/C11H14F2N6/c1-19-10-7(4-17-19)9(15-6-16-10)18-8-2-3-14-5-11(8,12)13/h4,6,8,14H,2-3,5H2,1H3,(H,15,16,18)
InChIKeyPVRNXHGXUUEFLE-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.77
Rot. Bonds2

About N-(3,3-difluoropiperidin-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

N-(3,3-difluoropiperidin-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 145134224) has the molecular formula C11H14F2N6 and a molecular weight of 268.27 g/mol. Its IUPAC name is N-(3,3-difluoropiperidin-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,3-difluoropiperidin-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID145134224
Molecular FormulaC11H14F2N6
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC NameN-(3,3-difluoropiperidin-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NC3CCNCC3(F)F)ncnc21
InChIInChI=1S/C11H14F2N6/c1-19-10-7(4-17-19)9(15-6-16-10)18-8-2-3-14-5-11(8,12)13/h4,6,8,14H,2-3,5H2,1H3,(H,15,16,18)
InChIKeyPVRNXHGXUUEFLE-UHFFFAOYSA-N
XLogP0.77
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 94753
2-undecyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11289252
2-decyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11380352
2-nonyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11149670
2-octyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11242074
1-(1H-Pyrazolo[3,4-d]pyrimidin-4-yl)-piperidin-4-ylamine
CID 11535873
[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanamine
CID 11715597
1-Ethyl-3-(1-(2-(piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)urea hydrochloride
CID 71223168
1-Cyclopentyl-3-(1-(2-(piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)urea hydrochloride
CID 71223206
1-Cyclohexyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea
CID 71223407
1-(1-(2-(piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-propylurea
CID 71225882
4-(4,4-difluoropiperidin-1-yl)-1-(2-(piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidine
CID 71226340

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoropiperidin-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(3,3-difluoropiperidin-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 145134224) is N-(3,3-difluoropiperidin-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3,3-difluoropiperidin-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(3,3-difluoropiperidin-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is Cn1ncc2c(NC3CCNCC3(F)F)ncnc21.
What is the InChIKey of N-(3,3-difluoropiperidin-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is PVRNXHGXUUEFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N6/c1-19-10-7(4-17-19)9(15-6-16-10)18-8-2-3-14-5-11(8,12)13/h4,6,8,14H,2-3,5H2,1H3,(H,15,16,18).
What are the key properties of N-(3,3-difluoropiperidin-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
N-(3,3-difluoropiperidin-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 268.27 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoropiperidin-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 145134224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).