1-[2-[[5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]amino]ethyl]piperidin-2-one

C26H26F3N7O3 — CID 58561605

About 1-[2-[[5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]amino]ethyl]piperidin-2-one

1-[2-[[5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]amino]ethyl]piperidin-2-one (PubChem CID 58561605) has the molecular formula C26H26F3N7O3 and a molecular weight of 541.53 g/mol. Its IUPAC name is 1-[2-[[5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]amino]ethyl]piperidin-2-one.

Molecular Properties

• Compound Name: 1-[2-[[5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]amino]ethyl]piperidin-2-one
• PubChem CID: 58561605
• Molecular Formula: C26H26F3N7O3
• Molecular Weight: 541.53 g/mol
• Exact Mass: 541.20
• IUPAC Name: 1-[2-[[5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]amino]ethyl]piperidin-2-one
• SMILES: Cc1cc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1ccc(NCCN2CCCCC2=O)nc1
• InChI: InChI=1S/C26H26F3N7O3/c1-17-14-21(25-32-24(34-39-25)19-6-8-20(9-7-19)38-26(27,28)29)33-36(17)16-18-5-10-22(31-15-18)30-11-13-35-12-3-2-4-23(35)37/h5-10,14-15H,2-4,11-13,16H2,1H3,(H,30,31)
• InChIKey: FKSMBFVZERIIOM-UHFFFAOYSA-N
• XLogP: 4.67
• TPSA: 111.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	541.53
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]amino]ethyl]piperidin-2-one?

The IUPAC name of 1-[2-[[5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]amino]ethyl]piperidin-2-one (CID 58561605) is 1-[2-[[5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]amino]ethyl]piperidin-2-one.

What is the SMILES notation for 1-[2-[[5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]amino]ethyl]piperidin-2-one?

The canonical SMILES for 1-[2-[[5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]amino]ethyl]piperidin-2-one is Cc1cc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1ccc(NCCN2CCCCC2=O)nc1.

What is the InChIKey of 1-[2-[[5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]amino]ethyl]piperidin-2-one?

The InChIKey is FKSMBFVZERIIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N7O3/c1-17-14-21(25-32-24(34-39-25)19-6-8-20(9-7-19)38-26(27,28)29)33-36(17)16-18-5-10-22(31-15-18)30-11-13-35-12-3-2-4-23(35)37/h5-10,14-15H,2-4,11-13,16H2,1H3,(H,30,31).

What are the key properties of 1-[2-[[5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]amino]ethyl]piperidin-2-one?

1-[2-[[5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]amino]ethyl]piperidin-2-one has a molecular weight of 541.53 g/mol, XLogP of 4.67, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[[5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]amino]ethyl]piperidin-2-one is sourced from PubChem (CID 58561605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).