N-[1-(2,2-difluoro-2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C18H20F2N6 — CID 11959476

IUPACN-[1-(2,2-difluoro-2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESFC(F)(CN1CCC(Nc2ncnc3[nH]ncc23)CC1)c1ccccc1
InChIInChI=1S/C18H20F2N6/c19-18(20,13-4-2-1-3-5-13)11-26-8-6-14(7-9-26)24-16-15-10-23-25-17(15)22-12-21-16/h1-5,10,12,14H,6-9,11H2,(H2,21,22,23,24,25)
InChIKeyBYRFRJNESZRJIV-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.02
Rot. Bonds5

About N-[1-(2,2-difluoro-2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[1-(2,2-difluoro-2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 11959476) has the molecular formula C18H20F2N6 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[1-(2,2-difluoro-2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(2,2-difluoro-2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID11959476
Molecular FormulaC18H20F2N6
Molecular Weight358.40 g/mol
Exact Mass358.17
IUPAC NameN-[1-(2,2-difluoro-2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESFC(F)(CN1CCC(Nc2ncnc3[nH]ncc23)CC1)c1ccccc1
InChIInChI=1S/C18H20F2N6/c19-18(20,13-4-2-1-3-5-13)11-26-8-6-14(7-9-26)24-16-15-10-23-25-17(15)22-12-21-16/h1-5,10,12,14H,6-9,11H2,(H2,21,22,23,24,25)
InChIKeyBYRFRJNESZRJIV-UHFFFAOYSA-N
XLogP3.02
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoro-2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(2,2-difluoro-2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 11959476) is N-[1-(2,2-difluoro-2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(2,2-difluoro-2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(2,2-difluoro-2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is FC(F)(CN1CCC(Nc2ncnc3[nH]ncc23)CC1)c1ccccc1.
What is the InChIKey of N-[1-(2,2-difluoro-2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is BYRFRJNESZRJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N6/c19-18(20,13-4-2-1-3-5-13)11-26-8-6-14(7-9-26)24-16-15-10-23-25-17(15)22-12-21-16/h1-5,10,12,14H,6-9,11H2,(H2,21,22,23,24,25).
What are the key properties of N-[1-(2,2-difluoro-2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[1-(2,2-difluoro-2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 358.40 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoro-2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 11959476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).