[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone

C20H16F3N7O3 — CID 90491560

About [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone

[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 90491560) has the molecular formula C20H16F3N7O3 and a molecular weight of 459.39 g/mol. Its IUPAC name is [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone
• PubChem CID: 90491560
• Molecular Formula: C20H16F3N7O3
• Molecular Weight: 459.39 g/mol
• Exact Mass: 459.13
• IUPAC Name: [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone
• SMILES: O=C(c1cc(-c2ccco2)[nH]n1)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)cn2)CC1
• InChI: InChI=1S/C20H16F3N7O3/c21-20(22,23)19-25-17(28-33-19)12-3-4-16(24-11-12)29-5-7-30(8-6-29)18(31)14-10-13(26-27-14)15-2-1-9-32-15/h1-4,9-11H,5-8H2,(H,26,27)
• InChIKey: RCCKIAZIWOQTGV-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 117.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.39
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone?

The IUPAC name of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone (CID 90491560) is [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone.

What is the SMILES notation for [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone?

The canonical SMILES for [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone is O=C(c1cc(-c2ccco2)[nH]n1)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)cn2)CC1.

What is the InChIKey of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone?

The InChIKey is RCCKIAZIWOQTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N7O3/c21-20(22,23)19-25-17(28-33-19)12-3-4-16(24-11-12)29-5-7-30(8-6-29)18(31)14-10-13(26-27-14)15-2-1-9-32-15/h1-4,9-11H,5-8H2,(H,26,27).

What are the key properties of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone?

[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 459.39 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 90491560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).