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

C10H12F2N6 — CID 122445207

IUPACN-[(4R)-3,3-difluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESFC1(F)CNCC[C@H]1Nc1ncnc2[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)/t7-/m1/s1
InChIKeyIOLSYFCDXLEWMR-SSDOTTSWSA-N
MW254.24 g/mol
LogP0.76
Rot. Bonds2

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

N-[(4R)-3,3-difluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 122445207) has the molecular formula C10H12F2N6 and a molecular weight of 254.24 g/mol. Its IUPAC name is N-[(4R)-3,3-difluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4R)-3,3-difluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID122445207
Molecular FormulaC10H12F2N6
Molecular Weight254.24 g/mol
Exact Mass254.11
IUPAC NameN-[(4R)-3,3-difluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESFC1(F)CNCC[C@H]1Nc1ncnc2[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)/t7-/m1/s1
InChIKeyIOLSYFCDXLEWMR-SSDOTTSWSA-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-[(4R)-3,3-difluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(4R)-3,3-difluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 122445207) is N-[(4R)-3,3-difluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(4R)-3,3-difluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(4R)-3,3-difluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is FC1(F)CNCC[C@H]1Nc1ncnc2[nH]ncc12.
What is the InChIKey of N-[(4R)-3,3-difluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is IOLSYFCDXLEWMR-SSDOTTSWSA-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)/t7-/m1/s1.
What are the key properties of N-[(4R)-3,3-difluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[(4R)-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-[(4R)-3,3-difluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 122445207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).