4-[[3-(4-Chlorophenoxy)phenyl]methyl]-N-pyrazin-2-ylpiperazine-1-carboxamide

CovInDB Inhibitor

CI001231

Name

4-[[3-(4-Chlorophenoxy)phenyl]methyl]-N-pyrazin-2-ylpiperazine-1-carboxamide

Molecular Formula

C₂₂H₂₂ClN₅O₂

Molecular Weight

423.9 g/mol

Structure

  Warhead   Similar Compounds

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SDF 2D SDF 3D

IUPAC Name

4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-pyrazin-2-yl-piperazine-1-carboxamide

InChI

InChI=1S/C22H22ClN5O2/c23-18-4-6-19(7-5-18)30-20-3-1-2-17(14-20)16-27-10-12-28(13-11-27)22(29)26-21-15-24-8-9-25-21/h1-9,14-15H,10-13,16H2,(H,25,26,29)

InChI Key

QHAJPNKPMOJDKH-UHFFFAOYSA-N

Canonical SMILES

O=C(Nc1cnccn1)N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

423.9 g/mol

Computed by RDKit

logP

2.94

Computed by ALOGPS

logS

-3.73

Computed by ALOGPS

Heavy Atom Count

30

Computed by RDKit

Ring Count

4

Computed by RDKit

Hydrogen Bond Acceptor Count

5

Computed by RDKit

Hydrogen Bond Donor Count

1

Computed by RDKit

Rotatable Bond Count

5

Computed by RDKit

Topological Polar Surface Area

70.59 Ų

Computed by RDKit

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No similar natural compounds found for this inhibitor.