4-[2-cyclopropyl-3-(2-fluorophenyl)-7-methyl-5-phenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinin-1-yl]morpholine

C24H25FN5OPS — CID 2323947

About 4-[2-cyclopropyl-3-(2-fluorophenyl)-7-methyl-5-phenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinin-1-yl]morpholine

4-[2-cyclopropyl-3-(2-fluorophenyl)-7-methyl-5-phenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinin-1-yl]morpholine (PubChem CID 2323947) has the molecular formula C24H25FN5OPS and a molecular weight of 481.54 g/mol. Its IUPAC name is 4-[2-cyclopropyl-3-(2-fluorophenyl)-7-methyl-5-phenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinin-1-yl]morpholine.

Molecular Properties

• Compound Name: 4-[2-cyclopropyl-3-(2-fluorophenyl)-7-methyl-5-phenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinin-1-yl]morpholine
• PubChem CID: 2323947
• Molecular Formula: C24H25FN5OPS
• Molecular Weight: 481.54 g/mol
• Exact Mass: 481.15
• IUPAC Name: 4-[2-cyclopropyl-3-(2-fluorophenyl)-7-methyl-5-phenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinin-1-yl]morpholine
• SMILES: Cc1nn(-c2ccccc2)c2c1P(=S)(N1CCOCC1)N(C1CC1)C(c1ccccc1F)=N2
• InChI: InChI=1S/C24H25FN5OPS/c1-17-22-24(29(27-17)18-7-3-2-4-8-18)26-23(20-9-5-6-10-21(20)25)30(19-11-12-19)32(22,33)28-13-15-31-16-14-28/h2-10,19H,11-16H2,1H3
• InChIKey: QGURTNJIPATYHJ-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 45.89 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.54
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclopropyl-3-(2-fluorophenyl)-7-methyl-5-phenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinin-1-yl]morpholine?

The IUPAC name of 4-[2-cyclopropyl-3-(2-fluorophenyl)-7-methyl-5-phenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinin-1-yl]morpholine (CID 2323947) is 4-[2-cyclopropyl-3-(2-fluorophenyl)-7-methyl-5-phenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinin-1-yl]morpholine.

What is the SMILES notation for 4-[2-cyclopropyl-3-(2-fluorophenyl)-7-methyl-5-phenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinin-1-yl]morpholine?

The canonical SMILES for 4-[2-cyclopropyl-3-(2-fluorophenyl)-7-methyl-5-phenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinin-1-yl]morpholine is Cc1nn(-c2ccccc2)c2c1P(=S)(N1CCOCC1)N(C1CC1)C(c1ccccc1F)=N2.

What is the InChIKey of 4-[2-cyclopropyl-3-(2-fluorophenyl)-7-methyl-5-phenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinin-1-yl]morpholine?

The InChIKey is QGURTNJIPATYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN5OPS/c1-17-22-24(29(27-17)18-7-3-2-4-8-18)26-23(20-9-5-6-10-21(20)25)30(19-11-12-19)32(22,33)28-13-15-31-16-14-28/h2-10,19H,11-16H2,1H3.

What are the key properties of 4-[2-cyclopropyl-3-(2-fluorophenyl)-7-methyl-5-phenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinin-1-yl]morpholine?

4-[2-cyclopropyl-3-(2-fluorophenyl)-7-methyl-5-phenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinin-1-yl]morpholine has a molecular weight of 481.54 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-cyclopropyl-3-(2-fluorophenyl)-7-methyl-5-phenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinin-1-yl]morpholine is sourced from PubChem (CID 2323947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).