4-[4-Methoxy-5-(2-methoxy-phenoxy)-6-(5-methyl-pyridine-2-sulfonylamino)-pyrimidin-2-yl]-pyridine-2-carboxylic acid

HCID 9892985

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(-c2ccnc(C(=O)O)c2)nc1OC
InChIKey: PWSQPYYJRFUQNY-UHFFFAOYSA-N
Molecular formula: C24H21N5O7S
Average molar mass: 523.5 g/mol

Names & identifiers

Preferred name: 4-[4-Methoxy-5-(2-methoxy-phenoxy)-6-(5-methyl-pyridine-2-sulfonylamino)-pyrimidin-2-yl]-pyridine-2-carboxylic acid
IUPAC: 4-[4-methoxy-5-(2-methoxyphenoxy)-6-[(5-methyl-2-pyridinyl)sulfonylamino]pyrimidin-2-yl]pyridine-2-carboxylic acid

Names & synonyms

SCHEMBL5035167PWSQPYYJRFUQNY-UHFFFAOYSA-N4-[4-methoxy-5-(2-methoxy-phenoxy)-6-(5-methyl-pyridine-2-sulfonylamino)-pyrimidin-2-yl]-pyridine-2-carboxylic acid

Database identifiers

PubChem CID: 9892985

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 171 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 12
Rotatable bonds: 9
Heavy atoms: 37
Formal charge: 0
Complexity: 859

Related reactions

8 records

New reaction record

HRID 305805As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1066508As productuspto-grants-2001_06

HRID 1066509As reactantuspto-grants-2001_06

HRID 1066510As reactantuspto-grants-2001_06

HRID 1066524As reactantuspto-grants-2001_06

HRID 1066525As reactantuspto-grants-2001_06

HRID 1239443As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 2142041As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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