8-[2-methoxy-5-(trifluoromethyl)phenyl]-N-(4-piperidin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C25H24F3N5O — CID 59612622

IUPAC8-[2-methoxy-5-(trifluoromethyl)phenyl]-N-(4-piperidin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc(C4CCNCC4)cc3)nc12
InChIInChI=1S/C25H24F3N5O/c1-34-22-9-6-18(25(26,27)28)15-21(22)20-3-2-14-33-23(20)31-24(32-33)30-19-7-4-16(5-8-19)17-10-12-29-13-11-17/h2-9,14-15,17,29H,10-13H2,1H3,(H,30,32)
InChIKeyWHBQVYIXULCPKI-UHFFFAOYSA-N
MW467.50 g/mol
LogP5.63
Rot. Bonds5

About 8-[2-methoxy-5-(trifluoromethyl)phenyl]-N-(4-piperidin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-[2-methoxy-5-(trifluoromethyl)phenyl]-N-(4-piperidin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 59612622) has the molecular formula C25H24F3N5O and a molecular weight of 467.50 g/mol. Its IUPAC name is 8-[2-methoxy-5-(trifluoromethyl)phenyl]-N-(4-piperidin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-[2-methoxy-5-(trifluoromethyl)phenyl]-N-(4-piperidin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID59612622
Molecular FormulaC25H24F3N5O
Molecular Weight467.50 g/mol
Exact Mass467.19
IUPAC Name8-[2-methoxy-5-(trifluoromethyl)phenyl]-N-(4-piperidin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc(C4CCNCC4)cc3)nc12
InChIInChI=1S/C25H24F3N5O/c1-34-22-9-6-18(25(26,27)28)15-21(22)20-3-2-14-33-23(20)31-24(32-33)30-19-7-4-16(5-8-19)17-10-12-29-13-11-17/h2-9,14-15,17,29H,10-13H2,1H3,(H,30,32)
InChIKeyWHBQVYIXULCPKI-UHFFFAOYSA-N
XLogP5.63
TPSA63.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.50
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[2-methoxy-5-(trifluoromethyl)phenyl]-N-(4-piperidin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-[2-methoxy-5-(trifluoromethyl)phenyl]-N-(4-piperidin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 59612622) is 8-[2-methoxy-5-(trifluoromethyl)phenyl]-N-(4-piperidin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-[2-methoxy-5-(trifluoromethyl)phenyl]-N-(4-piperidin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-[2-methoxy-5-(trifluoromethyl)phenyl]-N-(4-piperidin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is COc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc(C4CCNCC4)cc3)nc12.
What is the InChIKey of 8-[2-methoxy-5-(trifluoromethyl)phenyl]-N-(4-piperidin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is WHBQVYIXULCPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N5O/c1-34-22-9-6-18(25(26,27)28)15-21(22)20-3-2-14-33-23(20)31-24(32-33)30-19-7-4-16(5-8-19)17-10-12-29-13-11-17/h2-9,14-15,17,29H,10-13H2,1H3,(H,30,32).
What are the key properties of 8-[2-methoxy-5-(trifluoromethyl)phenyl]-N-(4-piperidin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-[2-methoxy-5-(trifluoromethyl)phenyl]-N-(4-piperidin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 467.50 g/mol, XLogP of 5.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-methoxy-5-(trifluoromethyl)phenyl]-N-(4-piperidin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 59612622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).