2-(1,1-difluoroethyl)-5-[4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole

C18H14F5N7O — CID 170333246

About 2-(1,1-difluoroethyl)-5-[4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole

2-(1,1-difluoroethyl)-5-[4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole (PubChem CID 170333246) has the molecular formula C18H14F5N7O and a molecular weight of 439.35 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-5-[4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-(1,1-difluoroethyl)-5-[4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole
• PubChem CID: 170333246
• Molecular Formula: C18H14F5N7O
• Molecular Weight: 439.35 g/mol
• Exact Mass: 439.12
• IUPAC Name: 2-(1,1-difluoroethyl)-5-[4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole
• SMILES: CC(F)(F)c1nnc(N2CCc3[nH]cnc3C2c2cc3cccc(C(F)(F)F)n3n2)o1
• InChI: InChI=1S/C18H14F5N7O/c1-17(19,20)15-26-27-16(31-15)29-6-5-10-13(25-8-24-10)14(29)11-7-9-3-2-4-12(18(21,22)23)30(9)28-11/h2-4,7-8,14H,5-6H2,1H3,(H,24,25)
• InChIKey: UJJRIJUZVUWQRW-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 88.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.35
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-5-[4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole?

The IUPAC name of 2-(1,1-difluoroethyl)-5-[4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole (CID 170333246) is 2-(1,1-difluoroethyl)-5-[4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole.

What is the SMILES notation for 2-(1,1-difluoroethyl)-5-[4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole?

The canonical SMILES for 2-(1,1-difluoroethyl)-5-[4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole is CC(F)(F)c1nnc(N2CCc3[nH]cnc3C2c2cc3cccc(C(F)(F)F)n3n2)o1.

What is the InChIKey of 2-(1,1-difluoroethyl)-5-[4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole?

The InChIKey is UJJRIJUZVUWQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F5N7O/c1-17(19,20)15-26-27-16(31-15)29-6-5-10-13(25-8-24-10)14(29)11-7-9-3-2-4-12(18(21,22)23)30(9)28-11/h2-4,7-8,14H,5-6H2,1H3,(H,24,25).

What are the key properties of 2-(1,1-difluoroethyl)-5-[4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole?

2-(1,1-difluoroethyl)-5-[4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole has a molecular weight of 439.35 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,1-difluoroethyl)-5-[4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 170333246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).