2-[5-methyl-1-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]methyl]pyrazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole

C26H24F6N6O2 — CID 151786852

About 2-[5-methyl-1-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]methyl]pyrazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole

2-[5-methyl-1-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]methyl]pyrazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole (PubChem CID 151786852) has the molecular formula C26H24F6N6O2 and a molecular weight of 566.51 g/mol. Its IUPAC name is 2-[5-methyl-1-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]methyl]pyrazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[5-methyl-1-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]methyl]pyrazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole
• PubChem CID: 151786852
• Molecular Formula: C26H24F6N6O2
• Molecular Weight: 566.51 g/mol
• Exact Mass: 566.19
• IUPAC Name: 2-[5-methyl-1-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]methyl]pyrazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole
• SMILES: Cc1cc(-c2nc(-c3ccc(OC(F)(F)F)cc3)co2)nn1Cc1ccnc(N2CCN(CC(F)(F)F)CC2)c1
• InChI: InChI=1S/C26H24F6N6O2/c1-17-12-21(24-34-22(15-39-24)19-2-4-20(5-3-19)40-26(30,31)32)35-38(17)14-18-6-7-33-23(13-18)37-10-8-36(9-11-37)16-25(27,28)29/h2-7,12-13,15H,8-11,14,16H2,1H3
• InChIKey: RVUCAXFQTQRGOC-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 72.45 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.51
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-1-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]methyl]pyrazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole?

The IUPAC name of 2-[5-methyl-1-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]methyl]pyrazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole (CID 151786852) is 2-[5-methyl-1-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]methyl]pyrazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole.

What is the SMILES notation for 2-[5-methyl-1-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]methyl]pyrazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole?

The canonical SMILES for 2-[5-methyl-1-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]methyl]pyrazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole is Cc1cc(-c2nc(-c3ccc(OC(F)(F)F)cc3)co2)nn1Cc1ccnc(N2CCN(CC(F)(F)F)CC2)c1.

What is the InChIKey of 2-[5-methyl-1-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]methyl]pyrazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole?

The InChIKey is RVUCAXFQTQRGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F6N6O2/c1-17-12-21(24-34-22(15-39-24)19-2-4-20(5-3-19)40-26(30,31)32)35-38(17)14-18-6-7-33-23(13-18)37-10-8-36(9-11-37)16-25(27,28)29/h2-7,12-13,15H,8-11,14,16H2,1H3.

What are the key properties of 2-[5-methyl-1-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]methyl]pyrazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole?

2-[5-methyl-1-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]methyl]pyrazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole has a molecular weight of 566.51 g/mol, XLogP of 5.54, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-methyl-1-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]methyl]pyrazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole is sourced from PubChem (CID 151786852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).