[(2S)-4-[1-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-2H-pyridin-6-yl]piperazin-2-yl]methanol

C₂₃H₂₄F₄N₄O — CID 151636910

About [(2S)-4-[1-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-2H-pyridin-6-yl]piperazin-2-yl]methanol

[(2S)-4-[1-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-2H-pyridin-6-yl]piperazin-2-yl]methanol (PubChem CID 151636910) has the molecular formula C₂₃H₂₄F₄N₄O and a molecular weight of 448.46 g/mol. Its IUPAC name is [(2S)-4-[1-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-2H-pyridin-6-yl]piperazin-2-yl]methanol.

Molecular Properties

• Compound Name: [(2S)-4-[1-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-2H-pyridin-6-yl]piperazin-2-yl]methanol
• PubChem CID: 151636910
• Molecular Formula: C₂₃H₂₄F₄N₄O
• Molecular Weight: 448.46 g/mol
• Exact Mass: 448.19
• IUPAC Name: [(2S)-4-[1-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-2H-pyridin-6-yl]piperazin-2-yl]methanol
• SMILES: Cc1ccc(F)cc1-c1nc(N2CC=CC=C2N2CCN[C@H](CO)C2)ccc1C(F)(F)F
• InChI: InChI=1S/C23H24F4N4O/c1-15-5-6-16(24)12-18(15)22-19(23(25,26)27)7-8-20(29-22)31-10-3-2-4-21(31)30-11-9-28-17(13-30)14-32/h2-8,12,17,28,32H,9-11,13-14H2,1H3/t17-/m0/s1
• InChIKey: QRRVBKAMJJHGGT-KRWDZBQOSA-N
• XLogP: 3.70
• TPSA: 51.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.46
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-[1-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-2H-pyridin-6-yl]piperazin-2-yl]methanol?

The IUPAC name of [(2S)-4-[1-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-2H-pyridin-6-yl]piperazin-2-yl]methanol (CID 151636910) is [(2S)-4-[1-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-2H-pyridin-6-yl]piperazin-2-yl]methanol.

What is the SMILES notation for [(2S)-4-[1-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-2H-pyridin-6-yl]piperazin-2-yl]methanol?

The canonical SMILES for [(2S)-4-[1-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-2H-pyridin-6-yl]piperazin-2-yl]methanol is Cc1ccc(F)cc1-c1nc(N2CC=CC=C2N2CCN[C@H](CO)C2)ccc1C(F)(F)F.

What is the InChIKey of [(2S)-4-[1-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-2H-pyridin-6-yl]piperazin-2-yl]methanol?

The InChIKey is QRRVBKAMJJHGGT-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H24F4N4O/c1-15-5-6-16(24)12-18(15)22-19(23(25,26)27)7-8-20(29-22)31-10-3-2-4-21(31)30-11-9-28-17(13-30)14-32/h2-8,12,17,28,32H,9-11,13-14H2,1H3/t17-/m0/s1.

What are the key properties of [(2S)-4-[1-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-2H-pyridin-6-yl]piperazin-2-yl]methanol?

[(2S)-4-[1-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-2H-pyridin-6-yl]piperazin-2-yl]methanol has a molecular weight of 448.46 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-4-[1-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-2H-pyridin-6-yl]piperazin-2-yl]methanol is sourced from PubChem (CID 151636910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151636910 — identifiers, structure, computed properties (public domain)

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