[1-methyl-6-[5-[3-[4-(trifluoromethoxy)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

C36H29F6N7O5 — CID 155591463

IUPAC[1-methyl-6-[5-[3-[4-(trifluoromethoxy)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
SMILESCn1c(C(=O)N2CCN(Cc3ccc(OCC(F)(F)F)cc3)CC2)cc2ccc(Oc3cnc(-c4nc(-c5ccc(OC(F)(F)F)cc5)no4)cn3)cc21
InChIInChI=1S/C36H29F6N7O5/c1-47-29-17-27(52-31-19-43-28(18-44-31)33-45-32(46-54-33)23-4-9-26(10-5-23)53-36(40,41)42)11-6-24(29)16-30(47)34(50)49-14-12-48(13-15-49)20-22-2-7-25(8-3-22)51-21-35(37,38)39/h2-11,16-19H,12-15,20-21H2,1H3
InChIKeyBAGASQKXXGRLMZ-UHFFFAOYSA-N
MW753.66 g/mol
LogP7.28
Rot. Bonds10

About [1-methyl-6-[5-[3-[4-(trifluoromethoxy)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-[4-(trifluoromethoxy)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 155591463) has the molecular formula C36H29F6N7O5 and a molecular weight of 753.66 g/mol. Its IUPAC name is [1-methyl-6-[5-[3-[4-(trifluoromethoxy)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-[4-(trifluoromethoxy)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 CID155591463
Molecular FormulaC36H29F6N7O5
Molecular Weight753.66 g/mol
Exact Mass753.21
IUPAC Name[1-methyl-6-[5-[3-[4-(trifluoromethoxy)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
SMILESCn1c(C(=O)N2CCN(Cc3ccc(OCC(F)(F)F)cc3)CC2)cc2ccc(Oc3cnc(-c4nc(-c5ccc(OC(F)(F)F)cc5)no4)cn3)cc21
InChIInChI=1S/C36H29F6N7O5/c1-47-29-17-27(52-31-19-43-28(18-44-31)33-45-32(46-54-33)23-4-9-26(10-5-23)53-36(40,41)42)11-6-24(29)16-30(47)34(50)49-14-12-48(13-15-49)20-22-2-7-25(8-3-22)51-21-35(37,38)39/h2-11,16-19H,12-15,20-21H2,1H3
InChIKeyBAGASQKXXGRLMZ-UHFFFAOYSA-N
XLogP7.28
TPSA120.87 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500753.66
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze [1-methyl-6-[5-[3-[4-(trifluoromethoxy)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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-methyl-6-[5-[3-[4-(trifluoromethoxy)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-[4-(trifluoromethoxy)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 155591463) is [1-methyl-6-[5-[3-[4-(trifluoromethoxy)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-[4-(trifluoromethoxy)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-[4-(trifluoromethoxy)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(-c5ccc(OC(F)(F)F)cc5)no4)cn3)cc21.
What is the InChIKey of [1-methyl-6-[5-[3-[4-(trifluoromethoxy)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 BAGASQKXXGRLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H29F6N7O5/c1-47-29-17-27(52-31-19-43-28(18-44-31)33-45-32(46-54-33)23-4-9-26(10-5-23)53-36(40,41)42)11-6-24(29)16-30(47)34(50)49-14-12-48(13-15-49)20-22-2-7-25(8-3-22)51-21-35(37,38)39/h2-11,16-19H,12-15,20-21H2,1H3.
What are the key properties of [1-methyl-6-[5-[3-[4-(trifluoromethoxy)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-[4-(trifluoromethoxy)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 753.66 g/mol, XLogP of 7.28, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-6-[5-[3-[4-(trifluoromethoxy)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 155591463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).