[2-(4-fluorophenyl)-6-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]-[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]methanol

C22H24F4N4O — CID 146220801

About [2-(4-fluorophenyl)-6-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]-[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]methanol

[2-(4-fluorophenyl)-6-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]-[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]methanol (PubChem CID 146220801) has the molecular formula C22H24F4N4O and a molecular weight of 436.45 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-6-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]-[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]methanol.

Molecular Properties

• Compound Name: [2-(4-fluorophenyl)-6-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]-[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]methanol
• PubChem CID: 146220801
• Molecular Formula: C22H24F4N4O
• Molecular Weight: 436.45 g/mol
• Exact Mass: 436.19
• IUPAC Name: [2-(4-fluorophenyl)-6-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]-[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]methanol
• SMILES: CC(C)n1nccc1-c1cc(C(O)NC(C)(C)C(F)(F)F)cc(-c2ccc(F)cc2)n1
• InChI: InChI=1S/C22H24F4N4O/c1-13(2)30-19(9-10-27-30)18-12-15(20(31)29-21(3,4)22(24,25)26)11-17(28-18)14-5-7-16(23)8-6-14/h5-13,20,29,31H,1-4H3
• InChIKey: ASECPKNQOQXPIU-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 62.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.45
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-6-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]-[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]methanol?

The IUPAC name of [2-(4-fluorophenyl)-6-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]-[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]methanol (CID 146220801) is [2-(4-fluorophenyl)-6-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]-[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]methanol.

What is the SMILES notation for [2-(4-fluorophenyl)-6-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]-[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]methanol?

The canonical SMILES for [2-(4-fluorophenyl)-6-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]-[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]methanol is CC(C)n1nccc1-c1cc(C(O)NC(C)(C)C(F)(F)F)cc(-c2ccc(F)cc2)n1.

What is the InChIKey of [2-(4-fluorophenyl)-6-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]-[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]methanol?

The InChIKey is ASECPKNQOQXPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F4N4O/c1-13(2)30-19(9-10-27-30)18-12-15(20(31)29-21(3,4)22(24,25)26)11-17(28-18)14-5-7-16(23)8-6-14/h5-13,20,29,31H,1-4H3.

What are the key properties of [2-(4-fluorophenyl)-6-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]-[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]methanol?

[2-(4-fluorophenyl)-6-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]-[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]methanol has a molecular weight of 436.45 g/mol, XLogP of 5.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(4-fluorophenyl)-6-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]-[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]methanol is sourced from PubChem (CID 146220801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).