8-[3,5-bis(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

C22H19F6N7O — CID 58397998

IUPAC8-[3,5-bis(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(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cccn4n3)CC2)o1
InChIInChI=1S/C22H19F6N7O/c1-12-31-32-20(36-12)34-7-4-16(5-8-34)29-19-30-18-17(3-2-6-35(18)33-19)13-9-14(21(23,24)25)11-15(10-13)22(26,27)28/h2-3,6,9-11,16H,4-5,7-8H2,1H3,(H,29,33)
InChIKeyJOZYIWBFTYGKBP-UHFFFAOYSA-N
MW511.43 g/mol
LogP5.21
Rot. Bonds4

About 8-[3,5-bis(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-[3,5-bis(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 58397998) has the molecular formula C22H19F6N7O and a molecular weight of 511.43 g/mol. Its IUPAC name is 8-[3,5-bis(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-[3,5-bis(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 CID58397998
Molecular FormulaC22H19F6N7O
Molecular Weight511.43 g/mol
Exact Mass511.16
IUPAC Name8-[3,5-bis(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(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cccn4n3)CC2)o1
InChIInChI=1S/C22H19F6N7O/c1-12-31-32-20(36-12)34-7-4-16(5-8-34)29-19-30-18-17(3-2-6-35(18)33-19)13-9-14(21(23,24)25)11-15(10-13)22(26,27)28/h2-3,6,9-11,16H,4-5,7-8H2,1H3,(H,29,33)
InChIKeyJOZYIWBFTYGKBP-UHFFFAOYSA-N
XLogP5.21
TPSA84.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.43
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-[3,5-bis(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-[3,5-bis(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 58397998) is 8-[3,5-bis(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-[3,5-bis(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-[3,5-bis(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(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cccn4n3)CC2)o1.
What is the InChIKey of 8-[3,5-bis(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 JOZYIWBFTYGKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F6N7O/c1-12-31-32-20(36-12)34-7-4-16(5-8-34)29-19-30-18-17(3-2-6-35(18)33-19)13-9-14(21(23,24)25)11-15(10-13)22(26,27)28/h2-3,6,9-11,16H,4-5,7-8H2,1H3,(H,29,33).
What are the key properties of 8-[3,5-bis(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-[3,5-bis(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 511.43 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3,5-bis(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 58397998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).