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

C35H27F6N7O4 — CID 155591462

IUPAC[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]-[6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxy-1H-indol-2-yl]methanone
SMILESO=C(c1cc2ccc(Oc3cnc(-c4nc(-c5ccc(C(F)(F)F)cc5)no4)cn3)cc2[nH]1)N1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1
InChIInChI=1S/C35H27F6N7O4/c36-34(37,38)20-50-25-8-1-21(2-9-25)19-47-11-13-48(14-12-47)33(49)28-15-23-5-10-26(16-27(23)44-28)51-30-18-42-29(17-43-30)32-45-31(46-52-32)22-3-6-24(7-4-22)35(39,40)41/h1-10,15-18,44H,11-14,19-20H2
InChIKeyJVHCIACLHILORV-UHFFFAOYSA-N
MW723.63 g/mol
LogP7.39
Rot. Bonds9

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

[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]-[6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxy-1H-indol-2-yl]methanone (PubChem CID 155591462) has the molecular formula C35H27F6N7O4 and a molecular weight of 723.63 g/mol. Its IUPAC name is [4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]-[6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxy-1H-indol-2-yl]methanone.

Molecular Properties

Compound Name[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]-[6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxy-1H-indol-2-yl]methanone
PubChem CID155591462
Molecular FormulaC35H27F6N7O4
Molecular Weight723.63 g/mol
Exact Mass723.20
IUPAC Name[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]-[6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxy-1H-indol-2-yl]methanone
SMILESO=C(c1cc2ccc(Oc3cnc(-c4nc(-c5ccc(C(F)(F)F)cc5)no4)cn3)cc2[nH]1)N1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1
InChIInChI=1S/C35H27F6N7O4/c36-34(37,38)20-50-25-8-1-21(2-9-25)19-47-11-13-48(14-12-47)33(49)28-15-23-5-10-26(16-27(23)44-28)51-30-18-42-29(17-43-30)32-45-31(46-52-32)22-3-6-24(7-4-22)35(39,40)41/h1-10,15-18,44H,11-14,19-20H2
InChIKeyJVHCIACLHILORV-UHFFFAOYSA-N
XLogP7.39
TPSA122.50 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.63
LogP ≤ 57.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]-[6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxy-1H-indol-2-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 [4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]-[6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxy-1H-indol-2-yl]methanone?
The IUPAC name of [4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]-[6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxy-1H-indol-2-yl]methanone (CID 155591462) is [4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]-[6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxy-1H-indol-2-yl]methanone.
What is the SMILES notation for [4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]-[6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxy-1H-indol-2-yl]methanone?
The canonical SMILES for [4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]-[6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxy-1H-indol-2-yl]methanone is O=C(c1cc2ccc(Oc3cnc(-c4nc(-c5ccc(C(F)(F)F)cc5)no4)cn3)cc2[nH]1)N1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1.
What is the InChIKey of [4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]-[6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxy-1H-indol-2-yl]methanone?
The InChIKey is JVHCIACLHILORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27F6N7O4/c36-34(37,38)20-50-25-8-1-21(2-9-25)19-47-11-13-48(14-12-47)33(49)28-15-23-5-10-26(16-27(23)44-28)51-30-18-42-29(17-43-30)32-45-31(46-52-32)22-3-6-24(7-4-22)35(39,40)41/h1-10,15-18,44H,11-14,19-20H2.
What are the key properties of [4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]-[6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxy-1H-indol-2-yl]methanone?
[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]-[6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxy-1H-indol-2-yl]methanone has a molecular weight of 723.63 g/mol, XLogP of 7.39, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]-[6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxy-1H-indol-2-yl]methanone is sourced from PubChem (CID 155591462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).