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

C28H24F3N7O3 — CID 155591475

IUPAC(4-methylpiperazin-1-yl)-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]methanone
SMILESCN1CCN(C(=O)c2cc3ccc(Oc4cnc(-c5nc(-c6ccc(C(F)(F)F)cc6)no5)cn4)cc3n2C)CC1
InChIInChI=1S/C28H24F3N7O3/c1-36-9-11-38(12-10-36)27(39)23-13-18-5-8-20(14-22(18)37(23)2)40-24-16-32-21(15-33-24)26-34-25(35-41-26)17-3-6-19(7-4-17)28(29,30)31/h3-8,13-16H,9-12H2,1-2H3
InChIKeyIVWGVYANMZGHFP-UHFFFAOYSA-N
MW563.54 g/mol
LogP4.88
Rot. Bonds5

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

(4-methylpiperazin-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 155591475) has the molecular formula C28H24F3N7O3 and a molecular weight of 563.54 g/mol. Its IUPAC name is (4-methylpiperazin-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-methylpiperazin-1-yl)-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]methanone
PubChem CID155591475
Molecular FormulaC28H24F3N7O3
Molecular Weight563.54 g/mol
Exact Mass563.19
IUPAC Name(4-methylpiperazin-1-yl)-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]methanone
SMILESCN1CCN(C(=O)c2cc3ccc(Oc4cnc(-c5nc(-c6ccc(C(F)(F)F)cc6)no5)cn4)cc3n2C)CC1
InChIInChI=1S/C28H24F3N7O3/c1-36-9-11-38(12-10-36)27(39)23-13-18-5-8-20(14-22(18)37(23)2)40-24-16-32-21(15-33-24)26-34-25(35-41-26)17-3-6-19(7-4-17)28(29,30)31/h3-8,13-16H,9-12H2,1-2H3
InChIKeyIVWGVYANMZGHFP-UHFFFAOYSA-N
XLogP4.88
TPSA102.41 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.54
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

[1-methyl-6-[5-[3-[4-(trifluoromethyl)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 155591495
5-[5-(1-propylindol-6-yl)oxypyrazin-2-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 175086650
3,4-dichloro-N-[6-[1-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]benzamide
CID 87472407
N-[6-[2-[4-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-N-methyl-4-(trifluoromethyl)benzamide;hydrobromide
CID 87472473
N-methyl-N-[4-methyl-6-[1-methyl-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrobromide
CID 87473670
(4-methylpiperazin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273889
[5-[1-methyl-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxypyrazin-2-yl]methyl formate
CID 164936664
4-[1-methyl-5-[[4-methyl-5-[methyl-[4-(trifluoromethyl)benzoyl]amino]-2-pyridinyl]oxy]indole-2-carbonyl]piperazine-1-carboxylic acid
CID 150594694
N-[6-[1-methyl-2-[4-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-5-yl]oxy-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 87472195
N-[6-[2-[4-[[4-(difluoromethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-2-methyl-4-(trifluoromethyl)benzamide;hydrochloride
CID 87473174
4-[[6-[1-methyl-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]sulfinyl]benzoic acid
CID 154392093
N-[6-[2-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-2-methyl-4-(trifluoromethyl)benzamide;hydrochloride
CID 87472365

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-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-methylpiperazin-1-yl)-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]methanone (CID 155591475) is (4-methylpiperazin-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-methylpiperazin-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-methylpiperazin-1-yl)-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]methanone is CN1CCN(C(=O)c2cc3ccc(Oc4cnc(-c5nc(-c6ccc(C(F)(F)F)cc6)no5)cn4)cc3n2C)CC1.
What is the InChIKey of (4-methylpiperazin-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 IVWGVYANMZGHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F3N7O3/c1-36-9-11-38(12-10-36)27(39)23-13-18-5-8-20(14-22(18)37(23)2)40-24-16-32-21(15-33-24)26-34-25(35-41-26)17-3-6-19(7-4-17)28(29,30)31/h3-8,13-16H,9-12H2,1-2H3.
What are the key properties of (4-methylpiperazin-1-yl)-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]methanone?
(4-methylpiperazin-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 563.54 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-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 155591475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).