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

C24H18FN7O — CID 71962195

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

N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3-phenylprop-2-enamide (PubChem CID 71962195) has the molecular formula C24H18FN7O and a molecular weight of 439.45 g/mol. Its IUPAC name is N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3-phenylprop-2-enamide.

Molecular Properties

• Compound Name: N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3-phenylprop-2-enamide
• PubChem CID: 71962195
• Molecular Formula: C24H18FN7O
• Molecular Weight: 439.45 g/mol
• Exact Mass: 439.16
• IUPAC Name: N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3-phenylprop-2-enamide
• SMILES: Cc1cc(NC(=O)C=Cc2ccccc2)n(-c2ncnc3c2cnn3-c2ccc(F)cc2)n1
• InChI: InChI=1S/C24H18FN7O/c1-16-13-21(29-22(33)12-7-17-5-3-2-4-6-17)32(30-16)24-20-14-28-31(23(20)26-15-27-24)19-10-8-18(25)9-11-19/h2-15H,1H3,(H,29,33)
• InChIKey: URPJWUZQZUILDH-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 90.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.45
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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]-3-phenylprop-2-enamide?

The IUPAC name of N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3-phenylprop-2-enamide (CID 71962195) is N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3-phenylprop-2-enamide.

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

The canonical SMILES for N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3-phenylprop-2-enamide is Cc1cc(NC(=O)C=Cc2ccccc2)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]-3-phenylprop-2-enamide?

The InChIKey is URPJWUZQZUILDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN7O/c1-16-13-21(29-22(33)12-7-17-5-3-2-4-6-17)32(30-16)24-20-14-28-31(23(20)26-15-27-24)19-10-8-18(25)9-11-19/h2-15H,1H3,(H,29,33).

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

N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3-phenylprop-2-enamide has a molecular weight of 439.45 g/mol, XLogP of 4.10, 5 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]-3-phenylprop-2-enamide is sourced from PubChem (CID 71962195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).