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

C35H30F3N7O4 — CID 164936660

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

[1-methyl-6-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrazin-2-yl]oxyindol-2-yl]-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone (PubChem CID 164936660) has the molecular formula C35H30F3N7O4 and a molecular weight of 669.66 g/mol. Its IUPAC name is [1-methyl-6-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrazin-2-yl]oxyindol-2-yl]-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [1-methyl-6-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrazin-2-yl]oxyindol-2-yl]-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone
• PubChem CID: 164936660
• Molecular Formula: C35H30F3N7O4
• Molecular Weight: 669.66 g/mol
• Exact Mass: 669.23
• IUPAC Name: [1-methyl-6-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrazin-2-yl]oxyindol-2-yl]-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone
• SMILES: Cn1c(C(=O)N2CCN(Cc3ccc(OCC(F)(F)F)cc3)CC2)cc2ccc(Oc3cnc(-c4nc(-c5ccccc5)no4)cn3)cc21
• InChI: InChI=1S/C35H30F3N7O4/c1-43-29-18-27(48-31-20-39-28(19-40-31)33-41-32(42-49-33)24-5-3-2-4-6-24)12-9-25(29)17-30(43)34(46)45-15-13-44(14-16-45)21-23-7-10-26(11-8-23)47-22-35(36,37)38/h2-12,17-20H,13-16,21-22H2,1H3
• InChIKey: RGJYPCHOXLONBA-UHFFFAOYSA-N
• XLogP: 6.38
• TPSA: 111.64 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	669.66
LogP ≤ 5	6.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of [1-methyl-6-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrazin-2-yl]oxyindol-2-yl]-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone (CID 164936660) is [1-methyl-6-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrazin-2-yl]oxyindol-2-yl]-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone.

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

The canonical SMILES for [1-methyl-6-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrazin-2-yl]oxyindol-2-yl]-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone is Cn1c(C(=O)N2CCN(Cc3ccc(OCC(F)(F)F)cc3)CC2)cc2ccc(Oc3cnc(-c4nc(-c5ccccc5)no4)cn3)cc21.

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

The InChIKey is RGJYPCHOXLONBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30F3N7O4/c1-43-29-18-27(48-31-20-39-28(19-40-31)33-41-32(42-49-33)24-5-3-2-4-6-24)12-9-25(29)17-30(43)34(46)45-15-13-44(14-16-45)21-23-7-10-26(11-8-23)47-22-35(36,37)38/h2-12,17-20H,13-16,21-22H2,1H3.

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

[1-methyl-6-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrazin-2-yl]oxyindol-2-yl]-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone has a molecular weight of 669.66 g/mol, XLogP of 6.38, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [1-methyl-6-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrazin-2-yl]oxyindol-2-yl]-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 164936660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).