(Rac)-methyl 5-hydroxy-5-[5-(4-methyl-6-{[4-(trifluoromethyl)pyridin-2-yl]amino}pyridin-2-yl)-1,3-thiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxylate

HCID 70977892
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Basic information

Standard SMILES
COC(=O)c1ccc2c(c1)CCCC2(O)c1ncc(-c2cc(C)cc(Nc3cc(C(F)(F)F)ccn3)n2)s1
InChIKey
RYMMKCBZEWSFFV-UHFFFAOYSA-N
Molecular formula
C27H23F3N4O3S
Average molar mass
540.6 g/mol
Monoisotopic mass
540.14429627

Names & identifiers

Preferred name
(Rac)-methyl 5-hydroxy-5-[5-(4-methyl-6-{[4-(trifluoromethyl)pyridin-2-yl]amino}pyridin-2-yl)-1,3-thiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxylate
IUPAC
methyl 5-hydroxy-5-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxylate

Names & synonyms

(rac)-methyl 5-hydroxy-5-[5-(4-methyl-6-{[4-(trifluoromethyl)pyridin-2-yl]amino}pyridin-2-yl)-1,3-thiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxylateCHEMBL3698397SCHEMBL13727388BDBM127959US8796310, 6

Database identifiers

PubChem CID
70977892
ChEMBL
CHEMBL3698397

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
125 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
11
Rotatable bonds
6
Heavy atoms
38

Related reactions

2 records
New reaction record

Compound notes

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