6-(4-phenoxyphenyl)-3-(1-prop-2-enoyl-4-piperidyl)-1H-imidazo[1,2-b]pyrazole-7-carboxamide

CovInDB Inhibitor

CI004652

Name

6-(4-phenoxyphenyl)-3-(1-prop-2-enoyl-4-piperidyl)-1H-imidazo[1,2-b]pyrazole-7-carboxamide

Molecular Formula

C₂₆H₂₅N₅O₃

Molecular Weight

455.2 g/mol

Structure

  Warhead   Similar Compounds

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SDF 2D SDF 3D

IUPAC Name

6-(4-phenoxyphenyl)-3-(1-prop-2-enoyl-4-piperidyl)-1H-imidazo[1,2-b]pyrazole-7-carboxamide

InChI

InChI=1S/C26H25N5O3/c1-2-22(32)30-14-12-17(13-15-30)21-16-28-26-23(25(27)33)24(29-31(21)26)18-8-10-20(11-9-18)34-19-6-4-3-5-7-19/h2-11,16-17,28H,1,12-15H2,(H2,27,33)

InChI Key

FQTTXADHIKDUOM-UHFFFAOYSA-N

Canonical SMILES

C=CC(=O)N1CCC(c2c[nH]c3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn23)CC1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

455.2 g/mol

Computed by RDKit

logP

3.16

Computed by ALOGPS

logS

-4.42

Computed by ALOGPS

Heavy Atom Count

34

Computed by RDKit

Ring Count

5

Computed by RDKit

Hydrogen Bond Acceptor Count

5

Computed by RDKit

Hydrogen Bond Donor Count

2

Computed by RDKit

Rotatable Bond Count

6

Computed by RDKit

Topological Polar Surface Area

105.72 Ų

Computed by RDKit

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No similar natural compounds found for this inhibitor.