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

C19H22F2N6 — CID 122445179

IUPACN-[3,3-difluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1ccc(CCN2CCC(Nc3ncnc4[nH]ncc34)C(F)(F)C2)cc1
InChIInChI=1S/C19H22F2N6/c1-13-2-4-14(5-3-13)6-8-27-9-7-16(19(20,21)11-27)25-17-15-10-24-26-18(15)23-12-22-17/h2-5,10,12,16H,6-9,11H2,1H3,(H2,22,23,24,25,26)
InChIKeyUUWRLGUXZAUHPY-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.03
Rot. Bonds5

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

N-[3,3-difluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 122445179) has the molecular formula C19H22F2N6 and a molecular weight of 372.42 g/mol. Its IUPAC name is N-[3,3-difluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3,3-difluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID122445179
Molecular FormulaC19H22F2N6
Molecular Weight372.42 g/mol
Exact Mass372.19
IUPAC NameN-[3,3-difluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1ccc(CCN2CCC(Nc3ncnc4[nH]ncc34)C(F)(F)C2)cc1
InChIInChI=1S/C19H22F2N6/c1-13-2-4-14(5-3-13)6-8-27-9-7-16(19(20,21)11-27)25-17-15-10-24-26-18(15)23-12-22-17/h2-5,10,12,16H,6-9,11H2,1H3,(H2,22,23,24,25,26)
InChIKeyUUWRLGUXZAUHPY-UHFFFAOYSA-N
XLogP3.03
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3,3-difluoro-1-[2-(4-methylphenyl)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-methylphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[3,3-difluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 122445179) is N-[3,3-difluoro-1-[2-(4-methylphenyl)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-methylphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[3,3-difluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is Cc1ccc(CCN2CCC(Nc3ncnc4[nH]ncc34)C(F)(F)C2)cc1.
What is the InChIKey of N-[3,3-difluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is UUWRLGUXZAUHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N6/c1-13-2-4-14(5-3-13)6-8-27-9-7-16(19(20,21)11-27)25-17-15-10-24-26-18(15)23-12-22-17/h2-5,10,12,16H,6-9,11H2,1H3,(H2,22,23,24,25,26).
What are the key properties of N-[3,3-difluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[3,3-difluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 372.42 g/mol, XLogP of 3.03, 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-methylphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 122445179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).