5-[1-(4-cyanophenyl)-1H-pyrazol-5-yl]-6-methyl-2-oxo-N-(2-pyrrolidin-1-ylethyl)-1-[3-(trifluoromethyl)phenyl]-1,2-dihydropyridine-3-carboxamide

HCID 67092599

Notes Reactions

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Basic information

Standard SMILES: Cc1c(-c2ccnn2-c2ccc(C#N)cc2)cc(C(=O)NCCN2CCCC2)c(=O)n1-c1cccc(C(F)(F)F)c1
InChIKey: XPDFTDVPCYGUIL-UHFFFAOYSA-N
Molecular formula: C30H27F3N6O2
Average molar mass: 560.6 g/mol

Names & identifiers

Preferred name: 5-[1-(4-cyanophenyl)-1H-pyrazol-5-yl]-6-methyl-2-oxo-N-(2-pyrrolidin-1-ylethyl)-1-[3-(trifluoromethyl)phenyl]-1,2-dihydropyridine-3-carboxamide
IUPAC: 5-[2-(4-cyanophenyl)pyrazol-3-yl]-6-methyl-2-oxo-N-(2-pyrrolidin-1-ylethyl)-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

Names & synonyms

5-[1-(4-cyanophenyl)-1H-pyrazol-5-yl]-6-methyl-2-oxo-N-(2-pyrrolidin-1-ylethyl)-1-[3-(trifluoromethyl)phenyl]-1,2-dihydropyridine-3-carboxamideSCHEMBL1603837

Database identifiers

PubChem CID: 67092599

Properties

Computed structural properties

XLogP: 4.7
Topological polar surface area: 94.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 7
Heavy atoms: 41
Formal charge: 0
Complexity: 1,100

Related reactions

2 records

New reaction record

HRID 1230854As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 2089249As productuspto-grants-2013_05

Compound notes

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