N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C21H20F3N7O2 — CID 58398009

IUPACN-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1nnc(N2CCC(Nc3nc4c(-c5cccc(OC(F)(F)F)c5)cccn4n3)CC2)o1
InChIInChI=1S/C21H20F3N7O2/c1-13-27-28-20(32-13)30-10-7-15(8-11-30)25-19-26-18-17(6-3-9-31(18)29-19)14-4-2-5-16(12-14)33-21(22,23)24/h2-6,9,12,15H,7-8,10-11H2,1H3,(H,25,29)
InChIKeySEDMKSFLJRATIF-UHFFFAOYSA-N
MW459.43 g/mol
LogP4.07
Rot. Bonds5

About N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 58398009) has the molecular formula C21H20F3N7O2 and a molecular weight of 459.43 g/mol. Its IUPAC name is N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID58398009
Molecular FormulaC21H20F3N7O2
Molecular Weight459.43 g/mol
Exact Mass459.16
IUPAC NameN-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1nnc(N2CCC(Nc3nc4c(-c5cccc(OC(F)(F)F)c5)cccn4n3)CC2)o1
InChIInChI=1S/C21H20F3N7O2/c1-13-27-28-20(32-13)30-10-7-15(8-11-30)25-19-26-18-17(6-3-9-31(18)29-19)14-4-2-5-16(12-14)33-21(22,23)24/h2-6,9,12,15H,7-8,10-11H2,1H3,(H,25,29)
InChIKeySEDMKSFLJRATIF-UHFFFAOYSA-N
XLogP4.07
TPSA93.61 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.43
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 58398009) is N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1nnc(N2CCC(Nc3nc4c(-c5cccc(OC(F)(F)F)c5)cccn4n3)CC2)o1.
What is the InChIKey of N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is SEDMKSFLJRATIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N7O2/c1-13-27-28-20(32-13)30-10-7-15(8-11-30)25-19-26-18-17(6-3-9-31(18)29-19)14-4-2-5-16(12-14)33-21(22,23)24/h2-6,9,12,15H,7-8,10-11H2,1H3,(H,25,29).
What are the key properties of N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 459.43 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 58398009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).