2-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(3-pyridyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide

CovInDB Inhibitor

CI003406

Name

2-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(3-pyridyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide

Molecular Formula

C₂₆H₂₇ClN₄O₂

Molecular Weight

462.18 g/mol

Structure

  Warhead   Similar Compounds

  Download

SDF 2D SDF 3D

IUPAC Name

2-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(3-pyridyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide

InChI

InChI=1S/C26H27ClN4O2/c27-21-6-8-23(9-7-21)33-24-5-1-3-20(15-24)17-30-18-26(19-30)10-13-31(14-11-26)25(32)29-22-4-2-12-28-16-22/h1-9,12,15-16H,10-11,13-14,17-19H2,(H,29,32)

InChI Key

YJHNBNMSCPKYFZ-UHFFFAOYSA-N

Canonical SMILES

O=C(Nc1cccnc1)N1CCC2(CC1)CN(Cc1cccc(Oc3ccc(Cl)cc3)c1)C2

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

462.18 g/mol

Computed by RDKit

logP

4.33

Computed by ALOGPS

logS

-4.29

Computed by ALOGPS

Heavy Atom Count

33

Computed by RDKit

Ring Count

5

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.