N-{4-[4-(1,5-dimethyl-1H-pyrazol-4-ylmethyl)-3,4,5,6-tetrahydro-2H-[1,2']bipyrazinyl-3'-yl]-phenyl}-acetamide

HCID 59321920

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CC(=O)Nc1ccc(-c2nccnc2N2CCN(Cc3cnn(C)c3C)CC2)cc1
InChIKey: JBFKCZOSDDRTTH-UHFFFAOYSA-N
Molecular formula: C22H27N7O
Average molar mass: 405.5 g/mol

Names & identifiers

Preferred name: N-{4-[4-(1,5-dimethyl-1H-pyrazol-4-ylmethyl)-3,4,5,6-tetrahydro-2H-[1,2']bipyrazinyl-3'-yl]-phenyl}-acetamide
IUPAC: N-[4-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenyl]acetamide

Names & synonyms

SCHEMBL3322898JBFKCZOSDDRTTH-UHFFFAOYSA-NN-{4-[4-(1,5-dimethyl-1H-pyrazol-4-ylmethyl)-3,4,5,6-tetrahydro-2H-[1,2']bipyrazinyl-3'-yl]-phenyl}-acetamide

Database identifiers

PubChem CID: 59321920

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 79.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 30
Formal charge: 0
Complexity: 560

Related reactions

2 records

New reaction record

HRID 193453As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 220590As productuspto-grants-2012_06

Compound notes

Loading…