thiomorpholine-4-carboxylic acid (4-{[2-(2-methyl-2H-indazol-6-ylcarbamoyl)-phenylamino]-methyl}-pyridin-2-yl)-amide

HCID 57798922

Basic information

Standard SMILES
Cn1cc2ccc(NC(=O)c3ccccc3NCc3ccnc(NC(=O)N4CCSCC4)c3)cc2n1
InChIKey
CKXRZSCATQOIOL-UHFFFAOYSA-N
Molecular formula
C26H27N7O2S
Average molar mass
501.6 g/mol
Monoisotopic mass
501.1946943

Names & identifiers

Preferred name
thiomorpholine-4-carboxylic acid (4-{[2-(2-methyl-2H-indazol-6-ylcarbamoyl)-phenylamino]-methyl}-pyridin-2-yl)-amide
IUPAC
N-[4-[[2-[(2-methylindazol-6-yl)carbamoyl]anilino]methyl]-2-pyridinyl]thiomorpholine-4-carboxamide

Names & synonyms

SCHEMBL13714592CKXRZSCATQOIOL-UHFFFAOYSA-Nthiomorpholine-4-carboxylic acid (4-{[2-(2-methyl-2H-indazol-6-ylcarbamoyl)-phenylamino]-methyl}-pyridin-2-yl)-amide

Database identifiers

PubChem CID
57798922

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
129 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
36

Related reactions

4 records

Compound notes

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