N-(3,3-difluoropiperidin-4-yl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine

C11H14F2N6 — CID 122445251

IUPACN-(3,3-difluoropiperidin-4-yl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1[nH]nc2ncnc(NC3CCNCC3(F)F)c12
InChIInChI=1S/C11H14F2N6/c1-6-8-9(15-5-16-10(8)19-18-6)17-7-2-3-14-4-11(7,12)13/h5,7,14H,2-4H2,1H3,(H2,15,16,17,18,19)
InChIKeyCETBEGFZPUBOGJ-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.07
Rot. Bonds2

About N-(3,3-difluoropiperidin-4-yl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine

N-(3,3-difluoropiperidin-4-yl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 122445251) has the molecular formula C11H14F2N6 and a molecular weight of 268.27 g/mol. Its IUPAC name is N-(3,3-difluoropiperidin-4-yl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,3-difluoropiperidin-4-yl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID122445251
Molecular FormulaC11H14F2N6
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC NameN-(3,3-difluoropiperidin-4-yl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1[nH]nc2ncnc(NC3CCNCC3(F)F)c12
InChIInChI=1S/C11H14F2N6/c1-6-8-9(15-5-16-10(8)19-18-6)17-7-2-3-14-4-11(7,12)13/h5,7,14H,2-4H2,1H3,(H2,15,16,17,18,19)
InChIKeyCETBEGFZPUBOGJ-UHFFFAOYSA-N
XLogP1.07
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(3,3-difluoropiperidin-4-yl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 219854
1-(tert-butyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine (6)
CID 59633844
3-ethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 89154211
4-Amino-3-(2'-aminoethyl)pyrazolo[3,4-d]pyrimidine
CID 13714616
N-[3-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)prop-2-ynyl]-2,2,2-trifluoroacetamide
CID 21138010
6-Chloro-4-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidine
CID 57654271
3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidine
CID 69245165
3-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 115022764
N'-methyl-6-(4,4,4-trifluorobutyl)-1H-pyrazolo[3,4-d]pyrimidine-4-carboximidamide
CID 118142284
1-methyl-4-[(2S)-2-methylpiperazin-1-yl]-3-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-6-amine;hydrochloride
CID 121452568
N-(3,3-difluoropiperidin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 122445206
N-[(4R)-3,3-difluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 122445207

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoropiperidin-4-yl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(3,3-difluoropiperidin-4-yl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine (CID 122445251) is N-(3,3-difluoropiperidin-4-yl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3,3-difluoropiperidin-4-yl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(3,3-difluoropiperidin-4-yl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine is Cc1[nH]nc2ncnc(NC3CCNCC3(F)F)c12.
What is the InChIKey of N-(3,3-difluoropiperidin-4-yl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is CETBEGFZPUBOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N6/c1-6-8-9(15-5-16-10(8)19-18-6)17-7-2-3-14-4-11(7,12)13/h5,7,14H,2-4H2,1H3,(H2,15,16,17,18,19).
What are the key properties of N-(3,3-difluoropiperidin-4-yl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
N-(3,3-difluoropiperidin-4-yl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 268.27 g/mol, XLogP of 1.07, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoropiperidin-4-yl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 122445251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).