2-[methyl-[2-[[5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]amino]ethyl]amino]ethanol

C24H26F3N7O3 — CID 46203078

IUPAC2-[methyl-[2-[[5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]amino]ethyl]amino]ethanol
SMILESCc1cc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1ccc(NCCN(C)CCO)nc1
InChIInChI=1S/C24H26F3N7O3/c1-16-13-20(23-30-22(32-37-23)18-4-6-19(7-5-18)36-24(25,26)27)31-34(16)15-17-3-8-21(29-14-17)28-9-10-33(2)11-12-35/h3-8,13-14,35H,9-12,15H2,1-2H3,(H,28,29)
InChIKeyRFMSHXWEVKSCSX-UHFFFAOYSA-N
MW517.51 g/mol
LogP3.59
Rot. Bonds11

About 2-[methyl-[2-[[5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]amino]ethyl]amino]ethanol

2-[methyl-[2-[[5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]amino]ethyl]amino]ethanol (PubChem CID 46203078) has the molecular formula C24H26F3N7O3 and a molecular weight of 517.51 g/mol. Its IUPAC name is 2-[methyl-[2-[[5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]amino]ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[2-[[5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]amino]ethyl]amino]ethanol
PubChem CID46203078
Molecular FormulaC24H26F3N7O3
Molecular Weight517.51 g/mol
Exact Mass517.20
IUPAC Name2-[methyl-[2-[[5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]amino]ethyl]amino]ethanol
SMILESCc1cc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1ccc(NCCN(C)CCO)nc1
InChIInChI=1S/C24H26F3N7O3/c1-16-13-20(23-30-22(32-37-23)18-4-6-19(7-5-18)36-24(25,26)27)31-34(16)15-17-3-8-21(29-14-17)28-9-10-33(2)11-12-35/h3-8,13-14,35H,9-12,15H2,1-2H3,(H,28,29)
InChIKeyRFMSHXWEVKSCSX-UHFFFAOYSA-N
XLogP3.59
TPSA114.36 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.51
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[methyl-[2-[[5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]amino]ethyl]amino]ethanol with MolForge

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Related Compounds

1-cyclopropyl-4-(4-((5-methyl-3-(3-(4-(trifluoromethoxy)phenyl)-1,2,4-oxadiazol-5-yl)-1H-pyrazol-1-yl)methyl)pyridin-2-yl)piperazine
CID 67377767
5-N-[2-[3-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 53468453
N-[(1S)-1-[3-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 162669536
N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-4-(trifluoromethoxy)benzamide
CID 67154268
N-[(1S)-1-[3-[2-[(1S)-1-methoxyethyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155271856
N-[(1S)-1-[3-[2-(methoxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155272360
N-[(1S)-1-[3-(2-methoxy-6-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155272380
N-[(1S)-1-[3-[2-[(1R)-1-methoxyethyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 162658059
4-(azetidine-1-carbonyl)-N-[2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 165415238
N-[3-(1H-imidazol-1-yl)propyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2871923
2-{2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}-N-(2-phenylethyl)acetamide
CID 75527040
2-{2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}-N-(2-methylphenyl)acetamide
CID 75527074

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-[[5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]amino]ethyl]amino]ethanol?
The IUPAC name of 2-[methyl-[2-[[5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]amino]ethyl]amino]ethanol (CID 46203078) is 2-[methyl-[2-[[5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]amino]ethyl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[2-[[5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]amino]ethyl]amino]ethanol?
The canonical SMILES for 2-[methyl-[2-[[5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]amino]ethyl]amino]ethanol is Cc1cc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1ccc(NCCN(C)CCO)nc1.
What is the InChIKey of 2-[methyl-[2-[[5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]amino]ethyl]amino]ethanol?
The InChIKey is RFMSHXWEVKSCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N7O3/c1-16-13-20(23-30-22(32-37-23)18-4-6-19(7-5-18)36-24(25,26)27)31-34(16)15-17-3-8-21(29-14-17)28-9-10-33(2)11-12-35/h3-8,13-14,35H,9-12,15H2,1-2H3,(H,28,29).
What are the key properties of 2-[methyl-[2-[[5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]amino]ethyl]amino]ethanol?
2-[methyl-[2-[[5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]amino]ethyl]amino]ethanol has a molecular weight of 517.51 g/mol, XLogP of 3.59, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-[[5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]amino]ethyl]amino]ethanol is sourced from PubChem (CID 46203078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).