1-[4-[5-[5-(6-chloro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyrimidin-4-yl]piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone

C26H23ClF2N6O2 — CID 118378371

About 1-[4-[5-[5-(6-chloro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyrimidin-4-yl]piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone

1-[4-[5-[5-(6-chloro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyrimidin-4-yl]piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone (PubChem CID 118378371) has the molecular formula C26H23ClF2N6O2 and a molecular weight of 524.96 g/mol. Its IUPAC name is 1-[4-[5-[5-(6-chloro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyrimidin-4-yl]piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone.

Molecular Properties

• Compound Name: 1-[4-[5-[5-(6-chloro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyrimidin-4-yl]piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone
• PubChem CID: 118378371
• Molecular Formula: C26H23ClF2N6O2
• Molecular Weight: 524.96 g/mol
• Exact Mass: 524.15
• IUPAC Name: 1-[4-[5-[5-(6-chloro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyrimidin-4-yl]piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone
• SMILES: Cc1nc(C)c(-c2nnc(-c3cccc(Cl)n3)o2)c(C2CCN(C(=O)Cc3c(F)cccc3F)CC2)n1
• InChI: InChI=1S/C26H23ClF2N6O2/c1-14-23(26-34-33-25(37-26)20-7-4-8-21(27)32-20)24(31-15(2)30-14)16-9-11-35(12-10-16)22(36)13-17-18(28)5-3-6-19(17)29/h3-8,16H,9-13H2,1-2H3
• InChIKey: YIGJEPODCRWORE-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 97.90 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.96
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[5-(6-chloro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyrimidin-4-yl]piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone?

The IUPAC name of 1-[4-[5-[5-(6-chloro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyrimidin-4-yl]piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone (CID 118378371) is 1-[4-[5-[5-(6-chloro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyrimidin-4-yl]piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone.

What is the SMILES notation for 1-[4-[5-[5-(6-chloro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyrimidin-4-yl]piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone?

The canonical SMILES for 1-[4-[5-[5-(6-chloro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyrimidin-4-yl]piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone is Cc1nc(C)c(-c2nnc(-c3cccc(Cl)n3)o2)c(C2CCN(C(=O)Cc3c(F)cccc3F)CC2)n1.

What is the InChIKey of 1-[4-[5-[5-(6-chloro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyrimidin-4-yl]piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone?

The InChIKey is YIGJEPODCRWORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClF2N6O2/c1-14-23(26-34-33-25(37-26)20-7-4-8-21(27)32-20)24(31-15(2)30-14)16-9-11-35(12-10-16)22(36)13-17-18(28)5-3-6-19(17)29/h3-8,16H,9-13H2,1-2H3.

What are the key properties of 1-[4-[5-[5-(6-chloro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyrimidin-4-yl]piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone?

1-[4-[5-[5-(6-chloro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyrimidin-4-yl]piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone has a molecular weight of 524.96 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[5-[5-(6-chloro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyrimidin-4-yl]piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone is sourced from PubChem (CID 118378371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).