N(8)-(2-Methoxy-5-trifluoromethyl-phenyl)-N(2)-[3-(4-methyl-piperazin-1-yl)-phenyl]-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine

HCID 59612466

Notes Reactions

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Basic information

Standard SMILES: COc1ccc(C(F)(F)F)cc1Nc1cccn2nc(Nc3cccc(N4CCN(C)CC4)c3)nc12
InChIKey: FEYPCTBDACCHEZ-UHFFFAOYSA-N
Molecular formula: C25H26F3N7O
Average molar mass: 497.5 g/mol

Names & identifiers

Preferred name: N(8)-(2-Methoxy-5-trifluoromethyl-phenyl)-N(2)-[3-(4-methyl-piperazin-1-yl)-phenyl]-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine
IUPAC: 8-N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-N-[3-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine

Names & synonyms

N(8)-(2-Methoxy-5-trifluoromethyl-phenyl)-N(2)-[3-(4-methyl-piperazin-1-yl)-phenyl]-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamineSCHEMBL2634497CHEMBL3645022BDBM99774US8501936, 290

Database identifiers

PubChem CID: 59612466
ChEMBL: CHEMBL3645022

Properties

Computed structural properties

XLogP: 5
Topological polar surface area: 70 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 10
Rotatable bonds: 6
Heavy atoms: 36
Formal charge: 0
Complexity: 708

Related reactions

3 records

New reaction record

HRID 182788As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 472568As productuspto-grants-2014_01

HRID 1890036As productuspto-grants-2013_08

Compound notes

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