2-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(3-pyridyl)-2,7-diazaspiro[4.5]decane-7-carboxamide

CovInDB Inhibitor

CI003401

Name

2-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(3-pyridyl)-2,7-diazaspiro[4.5]decane-7-carboxamide

Molecular Formula

C₂₇H₂₉ClN₄O₂

Molecular Weight

476.2 g/mol

Structure

  Warhead   Similar Compounds

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SDF 2D SDF 3D

IUPAC Name

2-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(3-pyridyl)-2,7-diazaspiro[4.5]decane-7-carboxamide

InChI

InChI=1S/C27H29ClN4O2/c28-22-7-9-24(10-8-22)34-25-6-1-4-21(16-25)18-31-15-12-27(19-31)11-3-14-32(20-27)26(33)30-23-5-2-13-29-17-23/h1-2,4-10,13,16-17H,3,11-12,14-15,18-20H2,(H,30,33)

InChI Key

ABYGQKRHQFMGHP-UHFFFAOYSA-N

Canonical SMILES

O=C(Nc1cccnc1)N1CCCC2(CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)C2)C1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

476.2 g/mol

Computed by RDKit

logP

4.55

Computed by ALOGPS

logS

-4.45

Computed by ALOGPS

Heavy Atom Count

34

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

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No similar natural compounds found for this inhibitor.