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

CovInDB Inhibitor

CI004651

Name

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

Molecular Formula

C₂₅H₂₃N₅O₃

Molecular Weight

441.18 g/mol

Structure

  Warhead   Similar Compounds

  Download

SDF 2D SDF 3D

IUPAC Name

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

InChI

InChI=1S/C25H23N5O3/c1-2-21(31)29-13-12-17(14-29)20-15-30-25(27-20)22(24(26)32)23(28-30)16-8-10-19(11-9-16)33-18-6-4-3-5-7-18/h2-11,15,17,27H,1,12-14H2,(H2,26,32)

InChI Key

KYMRHZMEIPRWGR-UHFFFAOYSA-N

Canonical SMILES

C=CC(=O)N1CCC(c2cn3nc(-c4ccc(Oc5ccccc5)cc4)c(C(N)=O)c3[nH]2)C1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

441.18 g/mol

Computed by RDKit

logP

3.25

Computed by ALOGPS

logS

-4.2

Computed by ALOGPS

Heavy Atom Count

33

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

  Download

No similar natural compounds found for this inhibitor.