N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(4-phenylphenyl)acetamide

C29H22FN7O — CID 41242223

About N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(4-phenylphenyl)acetamide

N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(4-phenylphenyl)acetamide (PubChem CID 41242223) has the molecular formula C29H22FN7O and a molecular weight of 503.54 g/mol. Its IUPAC name is N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

• Compound Name: N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(4-phenylphenyl)acetamide
• PubChem CID: 41242223
• Molecular Formula: C29H22FN7O
• Molecular Weight: 503.54 g/mol
• Exact Mass: 503.19
• IUPAC Name: N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(4-phenylphenyl)acetamide
• SMILES: Cc1cc(NC(=O)Cc2ccc(-c3ccccc3)cc2)n(-c2ncnc3c2cnn3-c2ccc(F)cc2)n1
• InChI: InChI=1S/C29H22FN7O/c1-19-15-26(34-27(38)16-20-7-9-22(10-8-20)21-5-3-2-4-6-21)37(35-19)29-25-17-33-36(28(25)31-18-32-29)24-13-11-23(30)12-14-24/h2-15,17-18H,16H2,1H3,(H,34,38)
• InChIKey: WZKBNWWXAQIGIW-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 90.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.54
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(4-phenylphenyl)acetamide (CID 41242223) is N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(4-phenylphenyl)acetamide.

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

The canonical SMILES for N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(4-phenylphenyl)acetamide is Cc1cc(NC(=O)Cc2ccc(-c3ccccc3)cc2)n(-c2ncnc3c2cnn3-c2ccc(F)cc2)n1.

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

The InChIKey is WZKBNWWXAQIGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22FN7O/c1-19-15-26(34-27(38)16-20-7-9-22(10-8-20)21-5-3-2-4-6-21)37(35-19)29-25-17-33-36(28(25)31-18-32-29)24-13-11-23(30)12-14-24/h2-15,17-18H,16H2,1H3,(H,34,38).

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

N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(4-phenylphenyl)acetamide has a molecular weight of 503.54 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 41242223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).