N-[3,3-difluoro-1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C18H20F2N6 — CID 122445252

IUPACN-[3,3-difluoro-1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESFC1(F)CN(CCc2ccccc2)CCC1Nc1ncnc2[nH]ncc12
InChIInChI=1S/C18H20F2N6/c19-18(20)11-26(8-6-13-4-2-1-3-5-13)9-7-15(18)24-16-14-10-23-25-17(14)22-12-21-16/h1-5,10,12,15H,6-9,11H2,(H2,21,22,23,24,25)
InChIKeyWHBAEJDKYDGMTF-UHFFFAOYSA-N
MW358.40 g/mol
LogP2.72
Rot. Bonds5

About N-[3,3-difluoro-1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[3,3-difluoro-1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 122445252) has the molecular formula C18H20F2N6 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[3,3-difluoro-1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3,3-difluoro-1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID122445252
Molecular FormulaC18H20F2N6
Molecular Weight358.40 g/mol
Exact Mass358.17
IUPAC NameN-[3,3-difluoro-1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESFC1(F)CN(CCc2ccccc2)CCC1Nc1ncnc2[nH]ncc12
InChIInChI=1S/C18H20F2N6/c19-18(20)11-26(8-6-13-4-2-1-3-5-13)9-7-15(18)24-16-14-10-23-25-17(14)22-12-21-16/h1-5,10,12,15H,6-9,11H2,(H2,21,22,23,24,25)
InChIKeyWHBAEJDKYDGMTF-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3,3-difluoro-1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[3,3-difluoro-1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 122445252) is N-[3,3-difluoro-1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[3,3-difluoro-1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[3,3-difluoro-1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is FC1(F)CN(CCc2ccccc2)CCC1Nc1ncnc2[nH]ncc12.
What is the InChIKey of N-[3,3-difluoro-1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is WHBAEJDKYDGMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N6/c19-18(20)11-26(8-6-13-4-2-1-3-5-13)9-7-15(18)24-16-14-10-23-25-17(14)22-12-21-16/h1-5,10,12,15H,6-9,11H2,(H2,21,22,23,24,25).
What are the key properties of N-[3,3-difluoro-1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[3,3-difluoro-1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 358.40 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-difluoro-1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 122445252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).