(3-(4-(1H-Pyrazol-1-yl)benzyl)-4-chloro-2-methoxy-8-methylquinolin-6-yl)(1-methyl-1H-imidazol-5-yl)(6-(trifluoromethyl)pyridin-3-yl)methanol (HCID 86715664)

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Basic information

Standard SMILES: COc1nc2c(C)cc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1
InChIKey: NTMKNDJXPHULDI-UHFFFAOYSA-N
Molecular formula: C32H26ClF3N6O2
Average molar mass: 619 g/mol
Monoisotopic mass: 618.1757863

Names & identifiers

Preferred name: (3-(4-(1H-Pyrazol-1-yl)benzyl)-4-chloro-2-methoxy-8-methylquinolin-6-yl)(1-methyl-1H-imidazol-5-yl)(6-(trifluoromethyl)pyridin-3-yl)methanol
IUPAC: [4-chloro-2-methoxy-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol

Names & synonyms

(3-(4-(1H-Pyrazol-1-yl)benzyl)-4-chloro-2-methoxy-8-methylquinolin-6-yl)(1-methyl-1H-imidazol-5-yl)(6-(trifluoromethyl)pyridin-3-yl)methanolCHEMBL3937236SCHEMBL16461108BDBM220186US9290476, 29AUS9290476, 29BUS9290476, 29C

Database identifiers

PubChem CID: 86715664
ChEMBL: CHEMBL3937236

Properties

Computed structural properties

XLogP: 5.6
Topological polar surface area: 90.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 9
Rotatable bonds: 7
Heavy atoms: 44
Formal charge: 0
Complexity: 959

Related reactions

1 records

New reaction record

HRID 928832As productuspto-grants-2016_03

Compound notes

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