N-[3-[[3-chloro-6-[4-(4-methylpiperazin-1-yl)anilino]-2-pyridyl]oxy]phenyl]prop-2-enamide

CovInDB Inhibitor

CI005441

Name

N-[3-[[3-chloro-6-[4-(4-methylpiperazin-1-yl)anilino]-2-pyridyl]oxy]phenyl]prop-2-enamide

Molecular Formula

C₂₅H₂₆ClN₅O₂

Molecular Weight

463.1775028 g/mol

Structure

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SDF 2D SDF 3D

IUPAC Name

N-[3-[[3-chloro-6-[4-(4-methylpiperazin-1-yl)anilino]-2-pyridyl]oxy]phenyl]prop-2-enamide

InChI

InChI=1S/C25H26ClN5O2/c1-3-24(32)28-19-5-4-6-21(17-19)33-25-22(26)11-12-23(29-25)27-18-7-9-20(10-8-18)31-15-13-30(2)14-16-31/h3-12,17H,1,13-16H2,2H3,(H,27,29)(H,28,32)

InChI Key

XMUNQTPMDZGWFQ-UHFFFAOYSA-N

Canonical SMILES

C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)ccc2Cl)c1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

463.1775028 g/mol

Computed by RDKit

logP

4.862

Computed by ALOGPS

logS

-6.61

Computed by ALOGPS

Heavy Atom Count

33

Computed by RDKit

Ring Count

4

Computed by RDKit

Hydrogen Bond Acceptor Count

6

Computed by RDKit

Hydrogen Bond Donor Count

2

Computed by RDKit

Rotatable Bond Count

7

Computed by RDKit

Topological Polar Surface Area

69.73 Ų

Computed by RDKit

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No similar natural compounds found for this inhibitor.