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

C34H27F4N7O3 — CID 155591468

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]methanone
SMILESCn1c(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)cc2ccc(Oc3cnc(-c4nc(-c5ccc(C(F)(F)F)cc5)no4)cn3)cc21
InChIInChI=1S/C34H27F4N7O3/c1-43-28-17-26(11-6-23(28)16-29(43)33(46)45-14-12-44(13-15-45)20-21-2-9-25(35)10-3-21)47-30-19-39-27(18-40-30)32-41-31(42-48-32)22-4-7-24(8-5-22)34(36,37)38/h2-11,16-19H,12-15,20H2,1H3
InChIKeyCNWZYGWEPRTZEA-UHFFFAOYSA-N
MW657.63 g/mol
LogP6.59
Rot. Bonds7

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

[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]methanone (PubChem CID 155591468) has the molecular formula C34H27F4N7O3 and a molecular weight of 657.63 g/mol. Its IUPAC name is [4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]methanone.

Molecular Properties

Compound Name[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]methanone
PubChem CID155591468
Molecular FormulaC34H27F4N7O3
Molecular Weight657.63 g/mol
Exact Mass657.21
IUPAC Name[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]methanone
SMILESCn1c(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)cc2ccc(Oc3cnc(-c4nc(-c5ccc(C(F)(F)F)cc5)no4)cn3)cc21
InChIInChI=1S/C34H27F4N7O3/c1-43-28-17-26(11-6-23(28)16-29(43)33(46)45-14-12-44(13-15-45)20-21-2-9-25(35)10-3-21)47-30-19-39-27(18-40-30)32-41-31(42-48-32)22-4-7-24(8-5-22)34(36,37)38/h2-11,16-19H,12-15,20H2,1H3
InChIKeyCNWZYGWEPRTZEA-UHFFFAOYSA-N
XLogP6.59
TPSA102.41 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.63
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze [4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]methanone?
The IUPAC name of [4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]methanone (CID 155591468) is [4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]methanone.
What is the SMILES notation for [4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]methanone?
The canonical SMILES for [4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]methanone is Cn1c(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)cc2ccc(Oc3cnc(-c4nc(-c5ccc(C(F)(F)F)cc5)no4)cn3)cc21.
What is the InChIKey of [4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]methanone?
The InChIKey is CNWZYGWEPRTZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27F4N7O3/c1-43-28-17-26(11-6-23(28)16-29(43)33(46)45-14-12-44(13-15-45)20-21-2-9-25(35)10-3-21)47-30-19-39-27(18-40-30)32-41-31(42-48-32)22-4-7-24(8-5-22)34(36,37)38/h2-11,16-19H,12-15,20H2,1H3.
What are the key properties of [4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]methanone?
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]methanone has a molecular weight of 657.63 g/mol, XLogP of 6.59, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]methanone is sourced from PubChem (CID 155591468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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