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

C21H19F4N7O — CID 58398019

IUPAC8-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1nnc(N2CCC(Nc3nc4c(-c5ccc(F)c(C(F)(F)F)c5)cccn4n3)CC2)o1
InChIInChI=1S/C21H19F4N7O/c1-12-28-29-20(33-12)31-9-6-14(7-10-31)26-19-27-18-15(3-2-8-32(18)30-19)13-4-5-17(22)16(11-13)21(23,24)25/h2-5,8,11,14H,6-7,9-10H2,1H3,(H,26,30)
InChIKeyBTLRAORJBNXJIE-UHFFFAOYSA-N
MW461.42 g/mol
LogP4.33
Rot. Bonds4

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

8-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 58398019) has the molecular formula C21H19F4N7O and a molecular weight of 461.42 g/mol. Its IUPAC name is 8-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID58398019
Molecular FormulaC21H19F4N7O
Molecular Weight461.42 g/mol
Exact Mass461.16
IUPAC Name8-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1nnc(N2CCC(Nc3nc4c(-c5ccc(F)c(C(F)(F)F)c5)cccn4n3)CC2)o1
InChIInChI=1S/C21H19F4N7O/c1-12-28-29-20(33-12)31-9-6-14(7-10-31)26-19-27-18-15(3-2-8-32(18)30-19)13-4-5-17(22)16(11-13)21(23,24)25/h2-5,8,11,14H,6-7,9-10H2,1H3,(H,26,30)
InChIKeyBTLRAORJBNXJIE-UHFFFAOYSA-N
XLogP4.33
TPSA84.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.42
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 58398019) is 8-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1nnc(N2CCC(Nc3nc4c(-c5ccc(F)c(C(F)(F)F)c5)cccn4n3)CC2)o1.
What is the InChIKey of 8-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is BTLRAORJBNXJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F4N7O/c1-12-28-29-20(33-12)31-9-6-14(7-10-31)26-19-27-18-15(3-2-8-32(18)30-19)13-4-5-17(22)16(11-13)21(23,24)25/h2-5,8,11,14H,6-7,9-10H2,1H3,(H,26,30).
What are the key properties of 8-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 461.42 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 58398019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).