[4-[(3-methylphenyl)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

C35H30F3N7O3 — CID 155591480

About [4-[(3-methylphenyl)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-[(3-methylphenyl)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 155591480) has the molecular formula C35H30F3N7O3 and a molecular weight of 653.67 g/mol. Its IUPAC name is [4-[(3-methylphenyl)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-[(3-methylphenyl)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: 155591480
• Molecular Formula: C35H30F3N7O3
• Molecular Weight: 653.67 g/mol
• Exact Mass: 653.24
• IUPAC Name: [4-[(3-methylphenyl)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
• SMILES: Cc1cccc(CN2CCN(C(=O)c3cc4ccc(Oc5cnc(-c6nc(-c7ccc(C(F)(F)F)cc7)no6)cn5)cc4n3C)CC2)c1
• InChI: InChI=1S/C35H30F3N7O3/c1-22-4-3-5-23(16-22)21-44-12-14-45(15-13-44)34(46)30-17-25-8-11-27(18-29(25)43(30)2)47-31-20-39-28(19-40-31)33-41-32(42-48-33)24-6-9-26(10-7-24)35(36,37)38/h3-11,16-20H,12-15,21H2,1-2H3
• InChIKey: AWTJOEITWWNZHX-UHFFFAOYSA-N
• XLogP: 6.76
• TPSA: 102.41 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	653.67
LogP ≤ 5	6.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [4-[(3-methylphenyl)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-[(3-methylphenyl)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 155591480) is [4-[(3-methylphenyl)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-[(3-methylphenyl)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-[(3-methylphenyl)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 Cc1cccc(CN2CCN(C(=O)c3cc4ccc(Oc5cnc(-c6nc(-c7ccc(C(F)(F)F)cc7)no6)cn5)cc4n3C)CC2)c1.

What is the InChIKey of [4-[(3-methylphenyl)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 AWTJOEITWWNZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30F3N7O3/c1-22-4-3-5-23(16-22)21-44-12-14-45(15-13-44)34(46)30-17-25-8-11-27(18-29(25)43(30)2)47-31-20-39-28(19-40-31)33-41-32(42-48-33)24-6-9-26(10-7-24)35(36,37)38/h3-11,16-20H,12-15,21H2,1-2H3.

What are the key properties of [4-[(3-methylphenyl)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-[(3-methylphenyl)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 653.67 g/mol, XLogP of 6.76, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(3-methylphenyl)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 155591480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).