4-[[3-(4-Chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-6-ylpiperazine-1-carboxamide

CovInDB Inhibitor

CI001012

Name

4-[[3-(4-Chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-6-ylpiperazine-1-carboxamide

Molecular Formula

C₂₅H₂₄ClN₅O₂

Molecular Weight

461.9 g/mol

Structure

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SDF 2D SDF 3D

IUPAC Name

4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-6-yl-piperazine-1-carboxamide

InChI

InChI=1S/C25H24ClN5O2/c26-20-4-7-22(8-5-20)33-23-3-1-2-19(16-23)17-29-12-14-30(15-13-29)25(32)28-21-6-9-24-27-10-11-31(24)18-21/h1-11,16,18H,12-15,17H2,(H,28,32)

InChI Key

LEIGPBUJBWERCE-UHFFFAOYSA-N

Canonical SMILES

O=C(Nc1ccc2nccn2c1)N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

461.9 g/mol

Computed by RDKit

logP

3.39

Computed by ALOGPS

logS

-4.24

Computed by ALOGPS

Heavy Atom Count

33

Computed by RDKit

Ring Count

5

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

62.11 Ų

Computed by RDKit

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No similar natural compounds found for this inhibitor.