5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridin-2-amine

C28H32F3N7O2 — CID 46206650

IUPAC5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridin-2-amine
SMILESCc1cc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1ccc(NC2CC(C)(C)NC(C)(C)C2)nc1
InChIInChI=1S/C28H32F3N7O2/c1-17-12-22(25-34-24(36-40-25)19-7-9-21(10-8-19)39-28(29,30)31)35-38(17)16-18-6-11-23(32-15-18)33-20-13-26(2,3)37-27(4,5)14-20/h6-12,15,20,37H,13-14,16H2,1-5H3,(H,32,33)
InChIKeyXILIXRGFVBMVIX-UHFFFAOYSA-N
MW555.61 g/mol
LogP5.97
Rot. Bonds7

About 5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridin-2-amine

5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridin-2-amine (PubChem CID 46206650) has the molecular formula C28H32F3N7O2 and a molecular weight of 555.61 g/mol. Its IUPAC name is 5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridin-2-amine
PubChem CID46206650
Molecular FormulaC28H32F3N7O2
Molecular Weight555.61 g/mol
Exact Mass555.26
IUPAC Name5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridin-2-amine
SMILESCc1cc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1ccc(NC2CC(C)(C)NC(C)(C)C2)nc1
InChIInChI=1S/C28H32F3N7O2/c1-17-12-22(25-34-24(36-40-25)19-7-9-21(10-8-19)39-28(29,30)31)35-38(17)16-18-6-11-23(32-15-18)33-20-13-26(2,3)37-27(4,5)14-20/h6-12,15,20,37H,13-14,16H2,1-5H3,(H,32,33)
InChIKeyXILIXRGFVBMVIX-UHFFFAOYSA-N
XLogP5.97
TPSA102.92 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.61
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridin-2-amine?
The IUPAC name of 5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridin-2-amine (CID 46206650) is 5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridin-2-amine.
What is the SMILES notation for 5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridin-2-amine?
The canonical SMILES for 5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridin-2-amine is Cc1cc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1ccc(NC2CC(C)(C)NC(C)(C)C2)nc1.
What is the InChIKey of 5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridin-2-amine?
The InChIKey is XILIXRGFVBMVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F3N7O2/c1-17-12-22(25-34-24(36-40-25)19-7-9-21(10-8-19)39-28(29,30)31)35-38(17)16-18-6-11-23(32-15-18)33-20-13-26(2,3)37-27(4,5)14-20/h6-12,15,20,37H,13-14,16H2,1-5H3,(H,32,33).
What are the key properties of 5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridin-2-amine?
5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridin-2-amine has a molecular weight of 555.61 g/mol, XLogP of 5.97, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridin-2-amine is sourced from PubChem (CID 46206650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).