3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoyl-3-piperidyl]pyrazole-4-carboxamide

CovInDB Inhibitor

CI005255

Name

3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoyl-3-piperidyl]pyrazole-4-carboxamide

Molecular Formula

C₂₄H₂₄N₄O₃

Molecular Weight

416.1848406 g/mol

Structure

  Warhead   Similar Compounds

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SDF 2D SDF 3D

IUPAC Name

3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoyl-3-piperidyl]pyrazole-4-carboxamide

InChI

InChI=1S/C24H24N4O3/c1-2-22(29)27-14-6-7-18(15-27)28-16-21(24(25)30)23(26-28)17-10-12-20(13-11-17)31-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,25,30)/t18-/m1/s1

InChI Key

RDMQDOTXHSIKFA-GOSISDBHSA-N

Canonical SMILES

C=CC(=O)N1CCC[C@@H](n2cc(C(N)=O)c(-c3ccc(Oc4ccccc4)cc3)n2)C1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

416.1848406 g/mol

Computed by RDKit

logP

3.062

Computed by ALOGPS

logS

-5.009

Computed by ALOGPS

Heavy Atom Count

31

Computed by RDKit

Ring Count

4

Computed by RDKit

Hydrogen Bond Acceptor Count

5

Computed by RDKit

Hydrogen Bond Donor Count

1

Computed by RDKit

Rotatable Bond Count

6

Computed by RDKit

Topological Polar Surface Area

90.45 Ų

Computed by RDKit

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No similar natural compounds found for this inhibitor.