N-[3-[5-chloro-2-[2-methoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)anilino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide

CovInDB Inhibitor

CI002963

Name

N-[3-[5-chloro-2-[2-methoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)anilino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide

Molecular Formula

C₂₆H₂₆ClN₅O₃

Molecular Weight

491.17 g/mol

Structure

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SDF 2D SDF 3D

IUPAC Name

N-[3-[5-chloro-2-[2-methoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)anilino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide

InChI

InChI=1S/C26H26ClN5O3/c1-4-24(33)29-19-6-5-7-20(15-19)35-25-21(27)16-28-26(31-25)30-22-9-8-18(14-23(22)34-3)17-10-12-32(2)13-11-17/h4-10,14-16H,1,11-13H2,2-3H3,(H,29,33)(H,28,30,31)

InChI Key

UDKQKQPJPUAEHL-UHFFFAOYSA-N

Canonical SMILES

C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(C4=CCN(C)CC4)cc3OC)ncc2Cl)c1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

491.17 g/mol

Computed by RDKit

logP

5.11

Computed by ALOGPS

logS

-4.67

Computed by ALOGPS

Heavy Atom Count

35

Computed by RDKit

Ring Count

4

Computed by RDKit

Hydrogen Bond Acceptor Count

7

Computed by RDKit

Hydrogen Bond Donor Count

2

Computed by RDKit

Rotatable Bond Count

8

Computed by RDKit

Topological Polar Surface Area

88.61 Ų

Computed by RDKit

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No similar natural compounds found for this inhibitor.