4-N-(3-fluorophenyl)-1-phenyl-6-N,6-N-dipropylpyrazolo[3,4-d]pyrimidine-4,6-diamine

C23H25FN6 — CID 8550253

IUPAC4-N-(3-fluorophenyl)-1-phenyl-6-N,6-N-dipropylpyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCCCN(CCC)c1nc(Nc2cccc(F)c2)c2cnn(-c3ccccc3)c2n1
InChIInChI=1S/C23H25FN6/c1-3-13-29(14-4-2)23-27-21(26-18-10-8-9-17(24)15-18)20-16-25-30(22(20)28-23)19-11-6-5-7-12-19/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,26,27,28)
InChIKeyGPYYUOAPRDFXKL-UHFFFAOYSA-N
MW404.49 g/mol
LogP5.32
Rot. Bonds8

About 4-N-(3-fluorophenyl)-1-phenyl-6-N,6-N-dipropylpyrazolo[3,4-d]pyrimidine-4,6-diamine

4-N-(3-fluorophenyl)-1-phenyl-6-N,6-N-dipropylpyrazolo[3,4-d]pyrimidine-4,6-diamine (PubChem CID 8550253) has the molecular formula C23H25FN6 and a molecular weight of 404.49 g/mol. Its IUPAC name is 4-N-(3-fluorophenyl)-1-phenyl-6-N,6-N-dipropylpyrazolo[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-fluorophenyl)-1-phenyl-6-N,6-N-dipropylpyrazolo[3,4-d]pyrimidine-4,6-diamine
PubChem CID8550253
Molecular FormulaC23H25FN6
Molecular Weight404.49 g/mol
Exact Mass404.21
IUPAC Name4-N-(3-fluorophenyl)-1-phenyl-6-N,6-N-dipropylpyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCCCN(CCC)c1nc(Nc2cccc(F)c2)c2cnn(-c3ccccc3)c2n1
InChIInChI=1S/C23H25FN6/c1-3-13-29(14-4-2)23-27-21(26-18-10-8-9-17(24)15-18)20-16-25-30(22(20)28-23)19-11-6-5-7-12-19/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,26,27,28)
InChIKeyGPYYUOAPRDFXKL-UHFFFAOYSA-N
XLogP5.32
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.49
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N-(3-fluorophenyl)-1-phenyl-6-N,6-N-dipropylpyrazolo[3,4-d]pyrimidine-4,6-diamine 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 4-N-(3-fluorophenyl)-1-phenyl-6-N,6-N-dipropylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-fluorophenyl)-1-phenyl-6-N,6-N-dipropylpyrazolo[3,4-d]pyrimidine-4,6-diamine (CID 8550253) is 4-N-(3-fluorophenyl)-1-phenyl-6-N,6-N-dipropylpyrazolo[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-fluorophenyl)-1-phenyl-6-N,6-N-dipropylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-fluorophenyl)-1-phenyl-6-N,6-N-dipropylpyrazolo[3,4-d]pyrimidine-4,6-diamine is CCCN(CCC)c1nc(Nc2cccc(F)c2)c2cnn(-c3ccccc3)c2n1.
What is the InChIKey of 4-N-(3-fluorophenyl)-1-phenyl-6-N,6-N-dipropylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is GPYYUOAPRDFXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6/c1-3-13-29(14-4-2)23-27-21(26-18-10-8-9-17(24)15-18)20-16-25-30(22(20)28-23)19-11-6-5-7-12-19/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,26,27,28).
What are the key properties of 4-N-(3-fluorophenyl)-1-phenyl-6-N,6-N-dipropylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
4-N-(3-fluorophenyl)-1-phenyl-6-N,6-N-dipropylpyrazolo[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 404.49 g/mol, XLogP of 5.32, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-fluorophenyl)-1-phenyl-6-N,6-N-dipropylpyrazolo[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 8550253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).