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

C₃₀H₂₈F₃N₇O₃ — CID 155591466

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

[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]-(4-propylpiperazin-1-yl)methanone (PubChem CID 155591466) has the molecular formula C₃₀H₂₈F₃N₇O₃ and a molecular weight of 591.59 g/mol. Its IUPAC name is [1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]-(4-propylpiperazin-1-yl)methanone.

Molecular Properties

• Compound Name: [1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]-(4-propylpiperazin-1-yl)methanone
• PubChem CID: 155591466
• Molecular Formula: C₃₀H₂₈F₃N₇O₃
• Molecular Weight: 591.59 g/mol
• Exact Mass: 591.22
• IUPAC Name: [1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]-(4-propylpiperazin-1-yl)methanone
• SMILES: CCCN1CCN(C(=O)c2cc3ccc(Oc4cnc(-c5nc(-c6ccc(C(F)(F)F)cc6)no5)cn4)cc3n2C)CC1
• InChI: InChI=1S/C30H28F3N7O3/c1-3-10-39-11-13-40(14-12-39)29(41)25-15-20-6-9-22(16-24(20)38(25)2)42-26-18-34-23(17-35-26)28-36-27(37-43-28)19-4-7-21(8-5-19)30(31,32)33/h4-9,15-18H,3,10-14H2,1-2H3
• InChIKey: GGNLPEJABPNUDH-UHFFFAOYSA-N
• XLogP: 5.66
• TPSA: 102.41 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	591.59
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of [1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]-(4-propylpiperazin-1-yl)methanone (CID 155591466) is [1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]-(4-propylpiperazin-1-yl)methanone.

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

The canonical SMILES for [1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]-(4-propylpiperazin-1-yl)methanone is CCCN1CCN(C(=O)c2cc3ccc(Oc4cnc(-c5nc(-c6ccc(C(F)(F)F)cc6)no5)cn4)cc3n2C)CC1.

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

The InChIKey is GGNLPEJABPNUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F3N7O3/c1-3-10-39-11-13-40(14-12-39)29(41)25-15-20-6-9-22(16-24(20)38(25)2)42-26-18-34-23(17-35-26)28-36-27(37-43-28)19-4-7-21(8-5-19)30(31,32)33/h4-9,15-18H,3,10-14H2,1-2H3.

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

[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]-(4-propylpiperazin-1-yl)methanone has a molecular weight of 591.59 g/mol, XLogP of 5.66, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]-(4-propylpiperazin-1-yl)methanone is sourced from PubChem (CID 155591466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155591466 — identifiers, structure, computed properties (public domain)

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