N-(5-(3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-methoxypyridin-2-ylamino)-2-chloropyridin-3-yl)morpholine-4-sulfonamide

HCID 59548437

Basic information

Standard SMILES
COc1cnc(Nc2cnc(Cl)c(NS(=O)(=O)N3CCOCC3)c2)c(-c2nc(C)nc(N)n2)c1
InChIKey
JQXMRKGWLJIJAG-UHFFFAOYSA-N
Molecular formula
C19H22ClN9O4S
Average molar mass
508 g/mol

Names & identifiers

Preferred name
N-(5-(3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-methoxypyridin-2-ylamino)-2-chloropyridin-3-yl)morpholine-4-sulfonamide
IUPAC
N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-methoxy-2-pyridinyl]amino]-2-chloro-3-pyridinyl]morpholine-4-sulfonamide

Names & synonyms

CHEMBL2206905SCHEMBL169720JQXMRKGWLJIJAG-UHFFFAOYSA-NBDBM50401255US8772480, 334N-(5-(3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-methoxypyridin-2-ylamino)-2-chloropyridin-3-yl)morpholine-4-sulfonamide

Database identifiers

PubChem CID
59548437
ChEMBL
CHEMBL2206905

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
179 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
13
Rotatable bonds
7
Heavy atoms
34

Related reactions

3 records

Compound notes

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