N-[2-[1-(3,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-fluorobenzamide

C24H20FN7O — CID 16809410

About N-[2-[1-(3,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-fluorobenzamide

N-[2-[1-(3,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-fluorobenzamide (PubChem CID 16809410) has the molecular formula C24H20FN7O and a molecular weight of 441.47 g/mol. Its IUPAC name is N-[2-[1-(3,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-fluorobenzamide.

Molecular Properties

• Compound Name: N-[2-[1-(3,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-fluorobenzamide
• PubChem CID: 16809410
• Molecular Formula: C24H20FN7O
• Molecular Weight: 441.47 g/mol
• Exact Mass: 441.17
• IUPAC Name: N-[2-[1-(3,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-fluorobenzamide
• SMILES: Cc1cc(NC(=O)c2ccccc2F)n(-c2ncnc3c2cnn3-c2ccc(C)c(C)c2)n1
• InChI: InChI=1S/C24H20FN7O/c1-14-8-9-17(10-15(14)2)31-22-19(12-28-31)23(27-13-26-22)32-21(11-16(3)30-32)29-24(33)18-6-4-5-7-20(18)25/h4-13H,1-3H3,(H,29,33)
• InChIKey: XKGIASHACUZUPH-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 90.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.47
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-fluorobenzamide?

The IUPAC name of N-[2-[1-(3,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-fluorobenzamide (CID 16809410) is N-[2-[1-(3,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-fluorobenzamide.

What is the SMILES notation for N-[2-[1-(3,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-fluorobenzamide?

The canonical SMILES for N-[2-[1-(3,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-fluorobenzamide is Cc1cc(NC(=O)c2ccccc2F)n(-c2ncnc3c2cnn3-c2ccc(C)c(C)c2)n1.

What is the InChIKey of N-[2-[1-(3,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-fluorobenzamide?

The InChIKey is XKGIASHACUZUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN7O/c1-14-8-9-17(10-15(14)2)31-22-19(12-28-31)23(27-13-26-22)32-21(11-16(3)30-32)29-24(33)18-6-4-5-7-20(18)25/h4-13H,1-3H3,(H,29,33).

What are the key properties of N-[2-[1-(3,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-fluorobenzamide?

N-[2-[1-(3,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-fluorobenzamide has a molecular weight of 441.47 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-(3,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-fluorobenzamide is sourced from PubChem (CID 16809410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).