N-(5-chloro-2-fluoro-4-(3-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yloxy)phenyl)-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide

HCID 54596551

Notes Reactions

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Basic information

Standard SMILES: CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1cc(Cl)c(Oc2ccncc2-c2cnn(C)c2)cc1F
InChIKey: JAZUJVVTRWHKHH-UHFFFAOYSA-N
Molecular formula: C29H22ClF2N5O4
Average molar mass: 578 g/mol
Monoisotopic mass: 577.1328382

Names & identifiers

Preferred name: N-(5-chloro-2-fluoro-4-(3-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yloxy)phenyl)-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
IUPAC: N-[5-chloro-2-fluoro-4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide

Names & synonyms

SCHEMBL2593515JAZUJVVTRWHKHH-UHFFFAOYSA-NN-(5-chloro-2-fluoro-4-(3-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yloxy)phenyl)-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide

Database identifiers

PubChem CID: 54596551

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 98.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 8
Heavy atoms: 41
Formal charge: 0
Complexity: 1,010

Related reactions

2 records

New reaction record

HRID 121788As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 1046028As productuspto-grants-2013_10

Compound notes

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