2-benzyl-4-(2-fluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine

C28H26FN7 — CID 46133539

IUPAC2-benzyl-4-(2-fluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
SMILESNc1c2c(-c3ccccc3F)nc(N3CCN(c4ccccc4)CC3)nc2nn1Cc1ccccc1
InChIInChI=1S/C28H26FN7/c29-23-14-8-7-13-22(23)25-24-26(30)36(19-20-9-3-1-4-10-20)33-27(24)32-28(31-25)35-17-15-34(16-18-35)21-11-5-2-6-12-21/h1-14H,15-19,30H2
InChIKeyOYWJBIVOIQKLPZ-UHFFFAOYSA-N
MW479.56 g/mol
LogP4.59
Rot. Bonds5

About 2-benzyl-4-(2-fluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine

2-benzyl-4-(2-fluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine (PubChem CID 46133539) has the molecular formula C28H26FN7 and a molecular weight of 479.56 g/mol. Its IUPAC name is 2-benzyl-4-(2-fluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine.

Molecular Properties

Compound Name2-benzyl-4-(2-fluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
PubChem CID46133539
Molecular FormulaC28H26FN7
Molecular Weight479.56 g/mol
Exact Mass479.22
IUPAC Name2-benzyl-4-(2-fluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
SMILESNc1c2c(-c3ccccc3F)nc(N3CCN(c4ccccc4)CC3)nc2nn1Cc1ccccc1
InChIInChI=1S/C28H26FN7/c29-23-14-8-7-13-22(23)25-24-26(30)36(19-20-9-3-1-4-10-20)33-27(24)32-28(31-25)35-17-15-34(16-18-35)21-11-5-2-6-12-21/h1-14H,15-19,30H2
InChIKeyOYWJBIVOIQKLPZ-UHFFFAOYSA-N
XLogP4.59
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-benzyl-4-(2-fluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-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 2-benzyl-4-(2-fluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine?
The IUPAC name of 2-benzyl-4-(2-fluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine (CID 46133539) is 2-benzyl-4-(2-fluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine.
What is the SMILES notation for 2-benzyl-4-(2-fluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine?
The canonical SMILES for 2-benzyl-4-(2-fluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine is Nc1c2c(-c3ccccc3F)nc(N3CCN(c4ccccc4)CC3)nc2nn1Cc1ccccc1.
What is the InChIKey of 2-benzyl-4-(2-fluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine?
The InChIKey is OYWJBIVOIQKLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN7/c29-23-14-8-7-13-22(23)25-24-26(30)36(19-20-9-3-1-4-10-20)33-27(24)32-28(31-25)35-17-15-34(16-18-35)21-11-5-2-6-12-21/h1-14H,15-19,30H2.
What are the key properties of 2-benzyl-4-(2-fluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine?
2-benzyl-4-(2-fluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine has a molecular weight of 479.56 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-(2-fluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine is sourced from PubChem (CID 46133539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).