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

C36H32F3N7O5 — CID 155591467

IUPAC[6-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxy-1-methylindol-2-yl]-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone
SMILESCOc1ccc(-c2noc(-c3cnc(Oc4ccc5cc(C(=O)N6CCN(Cc7ccc(OCC(F)(F)F)cc7)CC6)n(C)c5c4)cn3)n2)cc1
InChIInChI=1S/C36H32F3N7O5/c1-44-30-18-28(50-32-20-40-29(19-41-32)34-42-33(43-51-34)24-5-10-26(48-2)11-6-24)12-7-25(30)17-31(44)35(47)46-15-13-45(14-16-46)21-23-3-8-27(9-4-23)49-22-36(37,38)39/h3-12,17-20H,13-16,21-22H2,1-2H3
InChIKeyWHDQELXDNKHASW-UHFFFAOYSA-N
MW699.69 g/mol
LogP6.39
Rot. Bonds10

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

[6-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxy-1-methylindol-2-yl]-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone (PubChem CID 155591467) has the molecular formula C36H32F3N7O5 and a molecular weight of 699.69 g/mol. Its IUPAC name is [6-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxy-1-methylindol-2-yl]-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[6-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxy-1-methylindol-2-yl]-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone
PubChem CID155591467
Molecular FormulaC36H32F3N7O5
Molecular Weight699.69 g/mol
Exact Mass699.24
IUPAC Name[6-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxy-1-methylindol-2-yl]-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone
SMILESCOc1ccc(-c2noc(-c3cnc(Oc4ccc5cc(C(=O)N6CCN(Cc7ccc(OCC(F)(F)F)cc7)CC6)n(C)c5c4)cn3)n2)cc1
InChIInChI=1S/C36H32F3N7O5/c1-44-30-18-28(50-32-20-40-29(19-41-32)34-42-33(43-51-34)24-5-10-26(48-2)11-6-24)12-7-25(30)17-31(44)35(47)46-15-13-45(14-16-46)21-23-3-8-27(9-4-23)49-22-36(37,38)39/h3-12,17-20H,13-16,21-22H2,1-2H3
InChIKeyWHDQELXDNKHASW-UHFFFAOYSA-N
XLogP6.39
TPSA120.87 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500699.69
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze [6-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxy-1-methylindol-2-yl]-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxy-1-methylindol-2-yl]-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone?
The IUPAC name of [6-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxy-1-methylindol-2-yl]-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone (CID 155591467) is [6-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxy-1-methylindol-2-yl]-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [6-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxy-1-methylindol-2-yl]-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for [6-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxy-1-methylindol-2-yl]-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone is COc1ccc(-c2noc(-c3cnc(Oc4ccc5cc(C(=O)N6CCN(Cc7ccc(OCC(F)(F)F)cc7)CC6)n(C)c5c4)cn3)n2)cc1.
What is the InChIKey of [6-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxy-1-methylindol-2-yl]-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone?
The InChIKey is WHDQELXDNKHASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32F3N7O5/c1-44-30-18-28(50-32-20-40-29(19-41-32)34-42-33(43-51-34)24-5-10-26(48-2)11-6-24)12-7-25(30)17-31(44)35(47)46-15-13-45(14-16-46)21-23-3-8-27(9-4-23)49-22-36(37,38)39/h3-12,17-20H,13-16,21-22H2,1-2H3.
What are the key properties of [6-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxy-1-methylindol-2-yl]-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone?
[6-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxy-1-methylindol-2-yl]-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone has a molecular weight of 699.69 g/mol, XLogP of 6.39, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxy-1-methylindol-2-yl]-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 155591467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).