6-[5-butyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]pyridine-3-carbonitrile

C₂₃H₁₉F₃N₆ — CID 153127953

About 6-[5-butyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]pyridine-3-carbonitrile

6-[5-butyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]pyridine-3-carbonitrile (PubChem CID 153127953) has the molecular formula C₂₃H₁₉F₃N₆ and a molecular weight of 436.44 g/mol. Its IUPAC name is 6-[5-butyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[5-butyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]pyridine-3-carbonitrile
• PubChem CID: 153127953
• Molecular Formula: C₂₃H₁₉F₃N₆
• Molecular Weight: 436.44 g/mol
• Exact Mass: 436.16
• IUPAC Name: 6-[5-butyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]pyridine-3-carbonitrile
• SMILES: CCCCc1cc(-c2ccc(C#N)cn2)cnc1-c1nc2cc(C(F)(F)F)cnc2n1C
• InChI: InChI=1S/C23H19F3N6/c1-3-4-5-15-8-16(18-7-6-14(10-27)11-28-18)12-29-20(15)22-31-19-9-17(23(24,25)26)13-30-21(19)32(22)2/h6-9,11-13H,3-5H2,1-2H3
• InChIKey: VWDREGXIFHNKOP-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 80.28 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.44
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[5-butyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]pyridine-3-carbonitrile?

The IUPAC name of 6-[5-butyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]pyridine-3-carbonitrile (CID 153127953) is 6-[5-butyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]pyridine-3-carbonitrile.

What is the SMILES notation for 6-[5-butyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]pyridine-3-carbonitrile?

The canonical SMILES for 6-[5-butyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]pyridine-3-carbonitrile is CCCCc1cc(-c2ccc(C#N)cn2)cnc1-c1nc2cc(C(F)(F)F)cnc2n1C.

What is the InChIKey of 6-[5-butyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]pyridine-3-carbonitrile?

The InChIKey is VWDREGXIFHNKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N6/c1-3-4-5-15-8-16(18-7-6-14(10-27)11-28-18)12-29-20(15)22-31-19-9-17(23(24,25)26)13-30-21(19)32(22)2/h6-9,11-13H,3-5H2,1-2H3.

What are the key properties of 6-[5-butyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]pyridine-3-carbonitrile?

6-[5-butyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]pyridine-3-carbonitrile has a molecular weight of 436.44 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-butyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]pyridine-3-carbonitrile is sourced from PubChem (CID 153127953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 153127953 — identifiers, structure, computed properties (public domain)

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