4-fluoro-2-[5,5,5-trifluoro-4-[[[1-(6-fluoro-3-pyridinyl)indazol-4-yl]amino]methyl]-4-hydroxy-2-methylpentan-2-yl]phenol

C25H23F5N4O2 — CID 24898589

About 4-fluoro-2-[5,5,5-trifluoro-4-[[[1-(6-fluoro-3-pyridinyl)indazol-4-yl]amino]methyl]-4-hydroxy-2-methylpentan-2-yl]phenol

4-fluoro-2-[5,5,5-trifluoro-4-[[[1-(6-fluoro-3-pyridinyl)indazol-4-yl]amino]methyl]-4-hydroxy-2-methylpentan-2-yl]phenol (PubChem CID 24898589) has the molecular formula C25H23F5N4O2 and a molecular weight of 506.48 g/mol. Its IUPAC name is 4-fluoro-2-[5,5,5-trifluoro-4-[[[1-(6-fluoro-3-pyridinyl)indazol-4-yl]amino]methyl]-4-hydroxy-2-methylpentan-2-yl]phenol.

Molecular Properties

• Compound Name: 4-fluoro-2-[5,5,5-trifluoro-4-[[[1-(6-fluoro-3-pyridinyl)indazol-4-yl]amino]methyl]-4-hydroxy-2-methylpentan-2-yl]phenol
• PubChem CID: 24898589
• Molecular Formula: C25H23F5N4O2
• Molecular Weight: 506.48 g/mol
• Exact Mass: 506.17
• IUPAC Name: 4-fluoro-2-[5,5,5-trifluoro-4-[[[1-(6-fluoro-3-pyridinyl)indazol-4-yl]amino]methyl]-4-hydroxy-2-methylpentan-2-yl]phenol
• SMILES: CC(C)(CC(O)(CNc1cccc2c1cnn2-c1ccc(F)nc1)C(F)(F)F)c1cc(F)ccc1O
• InChI: InChI=1S/C25H23F5N4O2/c1-23(2,18-10-15(26)6-8-21(18)35)13-24(36,25(28,29)30)14-32-19-4-3-5-20-17(19)12-33-34(20)16-7-9-22(27)31-11-16/h3-12,32,35-36H,13-14H2,1-2H3
• InChIKey: MUPZVNQTIRQBRP-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 83.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.48
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[5,5,5-trifluoro-4-[[[1-(6-fluoro-3-pyridinyl)indazol-4-yl]amino]methyl]-4-hydroxy-2-methylpentan-2-yl]phenol?

The IUPAC name of 4-fluoro-2-[5,5,5-trifluoro-4-[[[1-(6-fluoro-3-pyridinyl)indazol-4-yl]amino]methyl]-4-hydroxy-2-methylpentan-2-yl]phenol (CID 24898589) is 4-fluoro-2-[5,5,5-trifluoro-4-[[[1-(6-fluoro-3-pyridinyl)indazol-4-yl]amino]methyl]-4-hydroxy-2-methylpentan-2-yl]phenol.

What is the SMILES notation for 4-fluoro-2-[5,5,5-trifluoro-4-[[[1-(6-fluoro-3-pyridinyl)indazol-4-yl]amino]methyl]-4-hydroxy-2-methylpentan-2-yl]phenol?

The canonical SMILES for 4-fluoro-2-[5,5,5-trifluoro-4-[[[1-(6-fluoro-3-pyridinyl)indazol-4-yl]amino]methyl]-4-hydroxy-2-methylpentan-2-yl]phenol is CC(C)(CC(O)(CNc1cccc2c1cnn2-c1ccc(F)nc1)C(F)(F)F)c1cc(F)ccc1O.

What is the InChIKey of 4-fluoro-2-[5,5,5-trifluoro-4-[[[1-(6-fluoro-3-pyridinyl)indazol-4-yl]amino]methyl]-4-hydroxy-2-methylpentan-2-yl]phenol?

The InChIKey is MUPZVNQTIRQBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F5N4O2/c1-23(2,18-10-15(26)6-8-21(18)35)13-24(36,25(28,29)30)14-32-19-4-3-5-20-17(19)12-33-34(20)16-7-9-22(27)31-11-16/h3-12,32,35-36H,13-14H2,1-2H3.

What are the key properties of 4-fluoro-2-[5,5,5-trifluoro-4-[[[1-(6-fluoro-3-pyridinyl)indazol-4-yl]amino]methyl]-4-hydroxy-2-methylpentan-2-yl]phenol?

4-fluoro-2-[5,5,5-trifluoro-4-[[[1-(6-fluoro-3-pyridinyl)indazol-4-yl]amino]methyl]-4-hydroxy-2-methylpentan-2-yl]phenol has a molecular weight of 506.48 g/mol, XLogP of 5.48, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-2-[5,5,5-trifluoro-4-[[[1-(6-fluoro-3-pyridinyl)indazol-4-yl]amino]methyl]-4-hydroxy-2-methylpentan-2-yl]phenol is sourced from PubChem (CID 24898589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).