[2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]-methoxy-oxoazanium

C21H13F7N5O2+ — CID 123316424

About [2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]-methoxy-oxoazanium

[2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]-methoxy-oxoazanium (PubChem CID 123316424) has the molecular formula C21H13F7N5O2+ and a molecular weight of 500.35 g/mol. Its IUPAC name is [2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]-methoxy-oxoazanium.

Molecular Properties

• Compound Name: [2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]-methoxy-oxoazanium
• PubChem CID: 123316424
• Molecular Formula: C21H13F7N5O2+
• Molecular Weight: 500.35 g/mol
• Exact Mass: 500.10
• IUPAC Name: [2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]-methoxy-oxoazanium
• SMILES: CO[N+](=O)c1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccc(F)cn23)c1
• InChI: InChI=1S/C21H13F7N5O2/c1-35-33(34)14-8-15(18-19(21(26,27)28)31-17-7-4-12(22)10-32(17)18)30-16(9-14)29-13-5-2-11(3-6-13)20(23,24)25/h2-10H,1H3,(H,29,30)/q+1
• InChIKey: AJJZPPGBKRXFCW-UHFFFAOYSA-N
• XLogP: 6.29
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.35
LogP ≤ 5	6.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]-methoxy-oxoazanium?

The IUPAC name of [2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]-methoxy-oxoazanium (CID 123316424) is [2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]-methoxy-oxoazanium.

What is the SMILES notation for [2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]-methoxy-oxoazanium?

The canonical SMILES for [2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]-methoxy-oxoazanium is CO[N+](=O)c1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccc(F)cn23)c1.

What is the InChIKey of [2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]-methoxy-oxoazanium?

The InChIKey is AJJZPPGBKRXFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F7N5O2/c1-35-33(34)14-8-15(18-19(21(26,27)28)31-17-7-4-12(22)10-32(17)18)30-16(9-14)29-13-5-2-11(3-6-13)20(23,24)25/h2-10H,1H3,(H,29,30)/q+1.

What are the key properties of [2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]-methoxy-oxoazanium?

[2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]-methoxy-oxoazanium has a molecular weight of 500.35 g/mol, XLogP of 6.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]-methoxy-oxoazanium is sourced from PubChem (CID 123316424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).