5-Methyl-pyridine-2-sulfonic acid [2-[2-(methanesulfonylamino-methyl)-pyridin-4-yl]-6-methoxy-5-(2-methoxy-phenoxy)-pyrimidin-4-yl]-amide

HCID 9873168
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(-c2ccnc(CNS(C)(=O)=O)c2)nc1OC
InChIKey
GBVBKQUMFUNJSX-UHFFFAOYSA-N
Molecular formula
C25H26N6O7S2
Average molar mass
586.6 g/mol
Monoisotopic mass
586.13043954

Names & identifiers

Preferred name
5-Methyl-pyridine-2-sulfonic acid [2-[2-(methanesulfonylamino-methyl)-pyridin-4-yl]-6-methoxy-5-(2-methoxy-phenoxy)-pyrimidin-4-yl]-amide
IUPAC
N-[2-[2-(methanesulfonamidomethyl)-4-pyridinyl]-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-methylpyridine-2-sulfonamide

Names & synonyms

SCHEMBL5039491GBVBKQUMFUNJSX-UHFFFAOYSA-N5-methyl-pyridine-2-sulfonic acid [2-[2-(methanesulfonylamino-methyl)-pyridin-4-yl]-6-methoxy-5-(2-methoxy-phenoxy)-pyrimidin-4-yl]-amide

Database identifiers

PubChem CID
9873168

Properties

Computed structural properties

XLogP
2
Topological polar surface area
188 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
13
Rotatable bonds
11
Heavy atoms
40

Related reactions

2 records
New reaction record

Linked notes

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