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

C18H19F3N6 — CID 122445231

IUPACN-[3,3-difluoro-1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESFc1ccc(CCN2CCC(Nc3ncnc4[nH]ncc34)C(F)(F)C2)cc1
InChIInChI=1S/C18H19F3N6/c19-13-3-1-12(2-4-13)5-7-27-8-6-15(18(20,21)10-27)25-16-14-9-24-26-17(14)23-11-22-16/h1-4,9,11,15H,5-8,10H2,(H2,22,23,24,25,26)
InChIKeyHRAWCZZERIVUGM-UHFFFAOYSA-N
MW376.39 g/mol
LogP2.86
Rot. Bonds5

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

N-[3,3-difluoro-1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 122445231) has the molecular formula C18H19F3N6 and a molecular weight of 376.39 g/mol. Its IUPAC name is N-[3,3-difluoro-1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3,3-difluoro-1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID122445231
Molecular FormulaC18H19F3N6
Molecular Weight376.39 g/mol
Exact Mass376.16
IUPAC NameN-[3,3-difluoro-1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESFc1ccc(CCN2CCC(Nc3ncnc4[nH]ncc34)C(F)(F)C2)cc1
InChIInChI=1S/C18H19F3N6/c19-13-3-1-12(2-4-13)5-7-27-8-6-15(18(20,21)10-27)25-16-14-9-24-26-17(14)23-11-22-16/h1-4,9,11,15H,5-8,10H2,(H2,22,23,24,25,26)
InChIKeyHRAWCZZERIVUGM-UHFFFAOYSA-N
XLogP2.86
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3,3-difluoro-1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3,3-difluoro-1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[3,3-difluoro-1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 122445231) is N-[3,3-difluoro-1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[3,3-difluoro-1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[3,3-difluoro-1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is Fc1ccc(CCN2CCC(Nc3ncnc4[nH]ncc34)C(F)(F)C2)cc1.
What is the InChIKey of N-[3,3-difluoro-1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is HRAWCZZERIVUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N6/c19-13-3-1-12(2-4-13)5-7-27-8-6-15(18(20,21)10-27)25-16-14-9-24-26-17(14)23-11-22-16/h1-4,9,11,15H,5-8,10H2,(H2,22,23,24,25,26).
What are the key properties of N-[3,3-difluoro-1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[3,3-difluoro-1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 376.39 g/mol, XLogP of 2.86, 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-(4-fluorophenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 122445231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).