6-(4-(4-cyano-2-methylphenyl)-5-methoxy-1H-pyrazol-1-yl)-N-((tetrahydro-2H-pyran-4-yl)methyl)nicotinamide

HCID 117601034
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Basic information

Standard SMILES
COc1c(-c2ccc(C#N)cc2C)cnn1-c1ccc(C(=O)NCC2CCOCC2)cn1
InChIKey
JEGXOPNDOUMXBA-UHFFFAOYSA-N
Molecular formula
C24H25N5O3
Average molar mass
431.5 g/mol

Names & identifiers

Preferred name
6-(4-(4-cyano-2-methylphenyl)-5-methoxy-1H-pyrazol-1-yl)-N-((tetrahydro-2H-pyran-4-yl)methyl)nicotinamide
IUPAC
6-[4-(4-cyano-2-methylphenyl)-5-methoxypyrazol-1-yl]-N-(oxan-4-ylmethyl)pyridine-3-carboxamide

Names & synonyms

SCHEMBL16109870JEGXOPNDOUMXBA-UHFFFAOYSA-N6-(4-(4-cyano-2-methylphenyl)-5-methoxy-1H-pyrazol-1-yl)-N-((tetrahydro-2H-pyran-4-yl)methyl)nicotinamide

Database identifiers

PubChem CID
117601034

Properties

Computed structural properties

XLogP
3
Topological polar surface area
102 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
32

Related reactions

4 records
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Linked notes

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