N-[5-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-pyrimidin-2-yl)amino]-2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-phenyl]prop-2-enamide

CovInDB Inhibitor

CI003517

Name

N-[5-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-pyrimidin-2-yl)amino]-2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-phenyl]prop-2-enamide

Molecular Formula

C₂₆H₂₉ClN₈O₂

Molecular Weight

520.21 g/mol

Structure

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SDF 2D SDF 3D

IUPAC Name

N-[5-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-pyrimidin-2-yl)amino]-2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-phenyl]prop-2-enamide

InChI

InChI=1S/C26H29ClN8O2/c1-6-24(36)30-19-13-20(23(37-5)14-22(19)34(4)12-11-33(2)3)31-26-28-16-18(27)25(32-26)17-15-29-35-10-8-7-9-21(17)35/h6-10,13-16H,1,11-12H2,2-5H3,(H,30,36)(H,28,31,32)

InChI Key

IEPKZTQXMCCRFJ-UHFFFAOYSA-N

Canonical SMILES

C=CC(=O)Nc1cc(Nc2ncc(Cl)c(-c3cnn4ccccc34)n2)c(OC)cc1N(C)CCN(C)C

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

520.21 g/mol

Computed by RDKit

logP

4.02

Computed by ALOGPS

logS

-4.62

Computed by ALOGPS

Heavy Atom Count

37

Computed by RDKit

Ring Count

4

Computed by RDKit

Hydrogen Bond Acceptor Count

9

Computed by RDKit

Hydrogen Bond Donor Count

2

Computed by RDKit

Rotatable Bond Count

10

Computed by RDKit

Topological Polar Surface Area

99.92 Ų

Computed by RDKit

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No similar natural compounds found for this inhibitor.