WTGUGCBYCZGKJJ-UHFFFAOYSA-N

C₂₀H₁₂F₆N₄O — CID 118101535

About WTGUGCBYCZGKJJ-UHFFFAOYSA-N

WTGUGCBYCZGKJJ-UHFFFAOYSA-N (PubChem CID 118101535) has the molecular formula C₂₀H₁₂F₆N₄O and a molecular weight of 438.33 g/mol. Its IUPAC name is 2-(trifluoromethyl)-3-[6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-ol.

Molecular Properties

• Compound Name: WTGUGCBYCZGKJJ-UHFFFAOYSA-N
• PubChem CID: 118101535
• Molecular Formula: C₂₀H₁₂F₆N₄O
• Molecular Weight: 438.33 g/mol
• Exact Mass: 438.09
• IUPAC Name: 2-(trifluoromethyl)-3-[6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-ol
• SMILES: Oc1ccc2nc(C(F)(F)F)c(-c3cccc(Nc4ccc(C(F)(F)F)cc4)n3)n2c1
• InChI: InChI=1S/C20H12F6N4O/c21-19(22,23)11-4-6-12(7-5-11)27-15-3-1-2-14(28-15)17-18(20(24,25)26)29-16-9-8-13(31)10-30(16)17/h1-10,31H,(H,27,28)
• InChIKey: WTGUGCBYCZGKJJ-UHFFFAOYSA-N
• XLogP: 5.88
• TPSA: 62.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.33
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of WTGUGCBYCZGKJJ-UHFFFAOYSA-N?

The IUPAC name of WTGUGCBYCZGKJJ-UHFFFAOYSA-N (CID 118101535) is 2-(trifluoromethyl)-3-[6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-ol.

What is the SMILES notation for WTGUGCBYCZGKJJ-UHFFFAOYSA-N?

The canonical SMILES for WTGUGCBYCZGKJJ-UHFFFAOYSA-N is Oc1ccc2nc(C(F)(F)F)c(-c3cccc(Nc4ccc(C(F)(F)F)cc4)n3)n2c1.

What is the InChIKey of WTGUGCBYCZGKJJ-UHFFFAOYSA-N?

The InChIKey is WTGUGCBYCZGKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F6N4O/c21-19(22,23)11-4-6-12(7-5-11)27-15-3-1-2-14(28-15)17-18(20(24,25)26)29-16-9-8-13(31)10-30(16)17/h1-10,31H,(H,27,28).

What are the key properties of WTGUGCBYCZGKJJ-UHFFFAOYSA-N?

WTGUGCBYCZGKJJ-UHFFFAOYSA-N has a molecular weight of 438.33 g/mol, XLogP of 5.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for WTGUGCBYCZGKJJ-UHFFFAOYSA-N is sourced from PubChem (CID 118101535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118101535 — identifiers, structure, computed properties (public domain)

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