(4-ethylpiperazin-1-yl)-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]methanone

C29H26F3N7O3 — CID 155591484

About (4-ethylpiperazin-1-yl)-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]methanone

(4-ethylpiperazin-1-yl)-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]methanone (PubChem CID 155591484) has the molecular formula C29H26F3N7O3 and a molecular weight of 577.57 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]methanone.

Molecular Properties

• Compound Name: (4-ethylpiperazin-1-yl)-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]methanone
• PubChem CID: 155591484
• Molecular Formula: C29H26F3N7O3
• Molecular Weight: 577.57 g/mol
• Exact Mass: 577.20
• IUPAC Name: (4-ethylpiperazin-1-yl)-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]methanone
• SMILES: CCN1CCN(C(=O)c2cc3ccc(Oc4cnc(-c5nc(-c6ccc(C(F)(F)F)cc6)no5)cn4)cc3n2C)CC1
• InChI: InChI=1S/C29H26F3N7O3/c1-3-38-10-12-39(13-11-38)28(40)24-14-19-6-9-21(15-23(19)37(24)2)41-25-17-33-22(16-34-25)27-35-26(36-42-27)18-4-7-20(8-5-18)29(30,31)32/h4-9,14-17H,3,10-13H2,1-2H3
• InChIKey: NVEVZABJQGHBJA-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 102.41 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	577.57
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]methanone?

The IUPAC name of (4-ethylpiperazin-1-yl)-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]methanone (CID 155591484) is (4-ethylpiperazin-1-yl)-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]methanone.

What is the SMILES notation for (4-ethylpiperazin-1-yl)-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]methanone?

The canonical SMILES for (4-ethylpiperazin-1-yl)-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]methanone is CCN1CCN(C(=O)c2cc3ccc(Oc4cnc(-c5nc(-c6ccc(C(F)(F)F)cc6)no5)cn4)cc3n2C)CC1.

What is the InChIKey of (4-ethylpiperazin-1-yl)-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]methanone?

The InChIKey is NVEVZABJQGHBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F3N7O3/c1-3-38-10-12-39(13-11-38)28(40)24-14-19-6-9-21(15-23(19)37(24)2)41-25-17-33-22(16-34-25)27-35-26(36-42-27)18-4-7-20(8-5-18)29(30,31)32/h4-9,14-17H,3,10-13H2,1-2H3.

What are the key properties of (4-ethylpiperazin-1-yl)-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]methanone?

(4-ethylpiperazin-1-yl)-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]methanone has a molecular weight of 577.57 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (4-ethylpiperazin-1-yl)-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]methanone is sourced from PubChem (CID 155591484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).