N-(4-Chloropyridin-3-yl)-4-[[3-(4-fluorophenoxy)phenyl]methyl]piperazine-1-carboxamide

CovInDB Inhibitor

CI001853

Name

N-(4-Chloropyridin-3-yl)-4-[[3-(4-fluorophenoxy)phenyl]methyl]piperazine-1-carboxamide

Molecular Formula

C₂₃H₂₂ClFN₄O₂

Molecular Weight

440.9 g/mol

Structure

  Warhead   Similar Compounds

  Download

SDF 2D SDF 3D

IUPAC Name

N-(4-chloro-3-pyridyl)-4-[[3-(4-fluorophenoxy)phenyl]methyl]piperazine-1-carboxamide

InChI

InChI=1S/C23H22ClFN4O2/c24-21-8-9-26-15-22(21)27-23(30)29-12-10-28(11-13-29)16-17-2-1-3-20(14-17)31-19-6-4-18(25)5-7-19/h1-9,14-15H,10-13,16H2,(H,27,30)

InChI Key

PJHNFCQBWRSKBM-UHFFFAOYSA-N

Canonical SMILES

O=C(Nc1cnccc1Cl)N1CCN(Cc2cccc(Oc3ccc(F)cc3)c2)CC1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

440.9 g/mol

Computed by RDKit

logP

4.57

Computed by ALOGPS

logS

-4.03

Computed by ALOGPS

Heavy Atom Count

31

Computed by RDKit

Ring Count

4

Computed by RDKit

Hydrogen Bond Acceptor Count

4

Computed by RDKit

Hydrogen Bond Donor Count

1

Computed by RDKit

Rotatable Bond Count

5

Computed by RDKit

Topological Polar Surface Area

57.7 Ų

Computed by RDKit

  Download

No similar natural compounds found for this inhibitor.