N-(3,3-difluoropiperidin-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C10H12F2N6 — CID 122445206

IUPACN-(3,3-difluoropiperidin-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESFC1(F)CNCCC1Nc1ncnc2[nH]ncc12
InChIInChI=1S/C10H12F2N6/c11-10(12)4-13-2-1-7(10)17-8-6-3-16-18-9(6)15-5-14-8/h3,5,7,13H,1-2,4H2,(H2,14,15,16,17,18)
InChIKeyIOLSYFCDXLEWMR-UHFFFAOYSA-N
MW254.24 g/mol
LogP0.76
Rot. Bonds2

About N-(3,3-difluoropiperidin-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-(3,3-difluoropiperidin-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 122445206) has the molecular formula C10H12F2N6 and a molecular weight of 254.24 g/mol. Its IUPAC name is N-(3,3-difluoropiperidin-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,3-difluoropiperidin-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID122445206
Molecular FormulaC10H12F2N6
Molecular Weight254.24 g/mol
Exact Mass254.11
IUPAC NameN-(3,3-difluoropiperidin-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESFC1(F)CNCCC1Nc1ncnc2[nH]ncc12
InChIInChI=1S/C10H12F2N6/c11-10(12)4-13-2-1-7(10)17-8-6-3-16-18-9(6)15-5-14-8/h3,5,7,13H,1-2,4H2,(H2,14,15,16,17,18)
InChIKeyIOLSYFCDXLEWMR-UHFFFAOYSA-N
XLogP0.76
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoropiperidin-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-(3,3-difluoropiperidin-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 122445206) is N-(3,3-difluoropiperidin-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3,3-difluoropiperidin-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(3,3-difluoropiperidin-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is FC1(F)CNCCC1Nc1ncnc2[nH]ncc12.
What is the InChIKey of N-(3,3-difluoropiperidin-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is IOLSYFCDXLEWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N6/c11-10(12)4-13-2-1-7(10)17-8-6-3-16-18-9(6)15-5-14-8/h3,5,7,13H,1-2,4H2,(H2,14,15,16,17,18).
What are the key properties of N-(3,3-difluoropiperidin-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-(3,3-difluoropiperidin-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 254.24 g/mol, XLogP of 0.76, 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)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 122445206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).