(2,6-difluorophenyl)-[4-[2,6-dimethyl-5-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-yl]piperidin-1-yl]methanone

C25H20F5N7O2 — CID 118377921

About (2,6-difluorophenyl)-[4-[2,6-dimethyl-5-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-yl]piperidin-1-yl]methanone

(2,6-difluorophenyl)-[4-[2,6-dimethyl-5-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-yl]piperidin-1-yl]methanone (PubChem CID 118377921) has the molecular formula C25H20F5N7O2 and a molecular weight of 545.47 g/mol. Its IUPAC name is (2,6-difluorophenyl)-[4-[2,6-dimethyl-5-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (2,6-difluorophenyl)-[4-[2,6-dimethyl-5-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-yl]piperidin-1-yl]methanone
• PubChem CID: 118377921
• Molecular Formula: C25H20F5N7O2
• Molecular Weight: 545.47 g/mol
• Exact Mass: 545.16
• IUPAC Name: (2,6-difluorophenyl)-[4-[2,6-dimethyl-5-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-yl]piperidin-1-yl]methanone
• SMILES: Cc1nc(C)c(-c2nnc(-c3ccnc(C(F)(F)F)n3)o2)c(C2CCN(C(=O)c3c(F)cccc3F)CC2)n1
• InChI: InChI=1S/C25H20F5N7O2/c1-12-18(22-36-35-21(39-22)17-6-9-31-24(34-17)25(28,29)30)20(33-13(2)32-12)14-7-10-37(11-8-14)23(38)19-15(26)4-3-5-16(19)27/h3-6,9,14H,7-8,10-11H2,1-2H3
• InChIKey: YWNMHAXPBKGJRJ-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 110.79 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	545.47
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-[4-[2,6-dimethyl-5-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-yl]piperidin-1-yl]methanone?

The IUPAC name of (2,6-difluorophenyl)-[4-[2,6-dimethyl-5-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-yl]piperidin-1-yl]methanone (CID 118377921) is (2,6-difluorophenyl)-[4-[2,6-dimethyl-5-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-yl]piperidin-1-yl]methanone.

What is the SMILES notation for (2,6-difluorophenyl)-[4-[2,6-dimethyl-5-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-yl]piperidin-1-yl]methanone?

The canonical SMILES for (2,6-difluorophenyl)-[4-[2,6-dimethyl-5-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-yl]piperidin-1-yl]methanone is Cc1nc(C)c(-c2nnc(-c3ccnc(C(F)(F)F)n3)o2)c(C2CCN(C(=O)c3c(F)cccc3F)CC2)n1.

What is the InChIKey of (2,6-difluorophenyl)-[4-[2,6-dimethyl-5-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-yl]piperidin-1-yl]methanone?

The InChIKey is YWNMHAXPBKGJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F5N7O2/c1-12-18(22-36-35-21(39-22)17-6-9-31-24(34-17)25(28,29)30)20(33-13(2)32-12)14-7-10-37(11-8-14)23(38)19-15(26)4-3-5-16(19)27/h3-6,9,14H,7-8,10-11H2,1-2H3.

What are the key properties of (2,6-difluorophenyl)-[4-[2,6-dimethyl-5-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-yl]piperidin-1-yl]methanone?

(2,6-difluorophenyl)-[4-[2,6-dimethyl-5-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-yl]piperidin-1-yl]methanone has a molecular weight of 545.47 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2,6-difluorophenyl)-[4-[2,6-dimethyl-5-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 118377921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).