6-[(2-{[7-(2,4-Dichlorophenyl)-2-(morpholin-4-ylmethyl)[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-amino}ethyl)amino]pyridine-3-carbonitrile

HCID 59313124

Basic information

Standard SMILES
N#Cc1ccc(NCCNc2nc(-c3ccc(Cl)cc3Cl)cc3nc(CN4CCOCC4)nn23)nc1
InChIKey
CKXXYAYISGMHNP-UHFFFAOYSA-N
Molecular formula
C24H23Cl2N9O
Average molar mass
524.4 g/mol

Names & identifiers

Preferred name
6-[(2-{[7-(2,4-Dichlorophenyl)-2-(morpholin-4-ylmethyl)[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-amino}ethyl)amino]pyridine-3-carbonitrile
IUPAC
6-[2-[[7-(2,4-dichlorophenyl)-2-(morpholin-4-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]ethylamino]pyridine-3-carbonitrile

Names & synonyms

SCHEMBL3602205CKXXYAYISGMHNP-UHFFFAOYSA-N6-[(2-{[7-(2,4-Dichlorophenyl)-2-(morpholin-4-ylmethyl)[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-amino}ethyl)amino]pyridine-3-carbonitrile

Database identifiers

PubChem CID
59313124

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
116 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
8
Heavy atoms
36

Related reactions

3 records

Compound notes

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