[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone

C26H22F3N5O — CID 46093080

IUPAC[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone
SMILESCc1nc(C(F)(F)F)ccc1C(=O)N1CCN(c2nc3ccccc3nc2-c2ccccc2)CC1
InChIInChI=1S/C26H22F3N5O/c1-17-19(11-12-22(30-17)26(27,28)29)25(35)34-15-13-33(14-16-34)24-23(18-7-3-2-4-8-18)31-20-9-5-6-10-21(20)32-24/h2-12H,13-16H2,1H3
InChIKeyXXYHDZLOEJPJEC-UHFFFAOYSA-N
MW477.49 g/mol
LogP4.98
Rot. Bonds3

About [2-methyl-6-(trifluoromethyl)-3-pyridinyl]-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone

[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone (PubChem CID 46093080) has the molecular formula C26H22F3N5O and a molecular weight of 477.49 g/mol. Its IUPAC name is [2-methyl-6-(trifluoromethyl)-3-pyridinyl]-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone
PubChem CID46093080
Molecular FormulaC26H22F3N5O
Molecular Weight477.49 g/mol
Exact Mass477.18
IUPAC Name[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone
SMILESCc1nc(C(F)(F)F)ccc1C(=O)N1CCN(c2nc3ccccc3nc2-c2ccccc2)CC1
InChIInChI=1S/C26H22F3N5O/c1-17-19(11-12-22(30-17)26(27,28)29)25(35)34-15-13-33(14-16-34)24-23(18-7-3-2-4-8-18)31-20-9-5-6-10-21(20)32-24/h2-12H,13-16H2,1H3
InChIKeyXXYHDZLOEJPJEC-UHFFFAOYSA-N
XLogP4.98
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.49
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-methyl-6-(trifluoromethyl)-3-pyridinyl]-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(2-fluorophenyl)-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone
CID 46093474
(5-fluoro-2-methylphenyl)-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone
CID 46093511
(4-fluorophenyl)-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone
CID 46093007
[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 46093497
(4-tert-butylphenyl)-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone
CID 46093506
4-hydroxy-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-4-carboxylic acid
CID 119251954
(4-ethylpiperazin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 134004996
(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone
CID 46093151
[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 108741320
1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]-N-phenylpiperidine-4-carboxamide
CID 31910212
(4-chlorophenyl)-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone
CID 46093514
(3S,4S)-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951143

Frequently Asked Questions

What is the IUPAC name of [2-methyl-6-(trifluoromethyl)-3-pyridinyl]-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone?
The IUPAC name of [2-methyl-6-(trifluoromethyl)-3-pyridinyl]-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone (CID 46093080) is [2-methyl-6-(trifluoromethyl)-3-pyridinyl]-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-methyl-6-(trifluoromethyl)-3-pyridinyl]-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for [2-methyl-6-(trifluoromethyl)-3-pyridinyl]-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone is Cc1nc(C(F)(F)F)ccc1C(=O)N1CCN(c2nc3ccccc3nc2-c2ccccc2)CC1.
What is the InChIKey of [2-methyl-6-(trifluoromethyl)-3-pyridinyl]-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone?
The InChIKey is XXYHDZLOEJPJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N5O/c1-17-19(11-12-22(30-17)26(27,28)29)25(35)34-15-13-33(14-16-34)24-23(18-7-3-2-4-8-18)31-20-9-5-6-10-21(20)32-24/h2-12H,13-16H2,1H3.
What are the key properties of [2-methyl-6-(trifluoromethyl)-3-pyridinyl]-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone?
[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone has a molecular weight of 477.49 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-6-(trifluoromethyl)-3-pyridinyl]-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 46093080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).