6-(2-hydroxy-2-methylpropoxy)-4-[6-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C26H23F3N6O3 — CID 134496783

About 6-(2-hydroxy-2-methylpropoxy)-4-[6-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-(2-hydroxy-2-methylpropoxy)-4-[6-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134496783) has the molecular formula C26H23F3N6O3 and a molecular weight of 524.50 g/mol. Its IUPAC name is 6-(2-hydroxy-2-methylpropoxy)-4-[6-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-(2-hydroxy-2-methylpropoxy)-4-[6-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 134496783
• Molecular Formula: C26H23F3N6O3
• Molecular Weight: 524.50 g/mol
• Exact Mass: 524.18
• IUPAC Name: 6-(2-hydroxy-2-methylpropoxy)-4-[6-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: CC(C)(O)COc1cc(-c2ccc(N3CC(Oc4cccc(C(F)(F)F)n4)C3)nc2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C26H23F3N6O3/c1-25(2,36)15-37-18-8-20(24-17(9-30)11-32-35(24)14-18)16-6-7-22(31-10-16)34-12-19(13-34)38-23-5-3-4-21(33-23)26(27,28)29/h3-8,10-11,14,19,36H,12-13,15H2,1-2H3
• InChIKey: YJRFVLPRUKAAIO-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 108.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.50
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxy-2-methylpropoxy)-4-[6-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-(2-hydroxy-2-methylpropoxy)-4-[6-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134496783) is 6-(2-hydroxy-2-methylpropoxy)-4-[6-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-(2-hydroxy-2-methylpropoxy)-4-[6-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-(2-hydroxy-2-methylpropoxy)-4-[6-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CC(C)(O)COc1cc(-c2ccc(N3CC(Oc4cccc(C(F)(F)F)n4)C3)nc2)c2c(C#N)cnn2c1.

What is the InChIKey of 6-(2-hydroxy-2-methylpropoxy)-4-[6-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is YJRFVLPRUKAAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N6O3/c1-25(2,36)15-37-18-8-20(24-17(9-30)11-32-35(24)14-18)16-6-7-22(31-10-16)34-12-19(13-34)38-23-5-3-4-21(33-23)26(27,28)29/h3-8,10-11,14,19,36H,12-13,15H2,1-2H3.

What are the key properties of 6-(2-hydroxy-2-methylpropoxy)-4-[6-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-(2-hydroxy-2-methylpropoxy)-4-[6-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 524.50 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-hydroxy-2-methylpropoxy)-4-[6-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134496783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).